 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer07_STD_M11_augccpVDZ.in
 Output=11_L-cysteine_conformer07_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-4912.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4914.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer07_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer07_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.841982000000     -0.630213000000      0.360459000000
  S                                                 2.547171000000     -0.192191000000     -0.109995000000
  C                                                -0.225879000000      0.229919000000     -0.309856000000
  N                                                -0.226558000000      1.646777000000      0.057723000000
  C                                                -1.625290000000     -0.371631000000     -0.067003000000
  O                                                -1.831566000000     -1.553063000000     -0.022962000000
  O                                                -2.593125000000      0.543639000000      0.052246000000
  H                                                -0.077154000000      0.178374000000     -1.391781000000
  H                                                 0.739207000000     -0.597147000000      1.446150000000
  H                                                 0.710059000000     -1.667028000000      0.057631000000
  H                                                -2.140525000000      1.414460000000      0.004453000000
  H                                                 0.443329000000      2.173429000000     -0.486604000000
  H                                                -0.005119000000      1.777267000000      1.039014000000
  H                                                 2.614024000000      0.975209000000      0.551137000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:58:09 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543639    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.822323   0.000000
     3  C    1.526262   2.812104   0.000000
     4  N    2.533399   3.332192   1.463763   0.000000
     5  C    2.517344   4.176539   1.542463   2.458857   0.000000
     6  O    2.854211   4.586162   2.416519   3.580717   1.200113
     7  O    3.643197   5.195230   2.415242   2.611050   1.337402
     8  H    2.137515   2.944041   1.093315   2.068717   2.110514
     9  H    1.091046   2.419568   2.167715   2.809916   2.816263
    10  H    1.088161   2.361826   2.146959   3.443625   2.673470
    11  H    3.633562   4.956705   2.273279   1.928751   1.860294
    12  H    2.955816   3.188125   2.063083   1.011139   3.306445
    13  H    2.640829   3.422451   2.064575   1.014394   2.909637
    14  H    2.398723   1.343275   3.059708   2.960298   4.490864
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.231992   0.000000
     8  H    2.819486   2.923823   0.000000
     9  H    3.111421   3.787981   3.053151   0.000000
    10  H    2.545455   3.974683   2.475077   1.753134   0.000000
    11  H    2.983689   0.982578   2.781165   3.797092   4.198122
    12  H    4.390541   3.488069   2.251775   3.391043   3.887987
    13  H    3.943957   3.032050   2.910397   2.521433   3.652090
    14  H    5.146360   5.248766   3.413549   2.605435   3.293941
                   11         12         13         14
    11  H    0.000000
    12  H    2.737421   0.000000
    13  H    2.400397   1.638768   0.000000
    14  H    4.805990   2.687853   2.782307   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543638    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4961684           1.1702730           0.9600507
 Leave Link  202 at Thu Aug 12 20:58:10 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       374.2750386855 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 20:58:14 2021, MaxMem=  5368709120 cpu:              28.0 elap:               4.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.66D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:58:15 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:58:15 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer07_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:58:16 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.809118179214    
 DIIS: error= 7.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.809118179214     IErMin= 1 ErrMin= 7.36D-03
 ErrMax= 7.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-02 BMatP= 1.39D-02
 IDIUse=3 WtCom= 9.26D-01 WtEn= 7.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.415 Goal=   None    Shift=    0.000
 GapD=    0.415 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.47D-03 MaxDP=2.90D-01              OVMax= 1.86D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.43D-03    CP:  9.71D-01
 E= -721.820859278312     Delta-E=       -0.011741099098 Rises=F Damp=F
 DIIS: error= 1.04D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.820859278312     IErMin= 2 ErrMin= 1.04D-03
 ErrMax= 1.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.09D-04 BMatP= 1.39D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.04D-02
 Coeff-Com:  0.301D-02 0.997D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.298D-02 0.997D+00
 Gap=     0.339 Goal=   None    Shift=    0.000
 RMSDP=1.42D-03 MaxDP=6.64D-02 DE=-1.17D-02 OVMax= 7.67D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.26D-04    CP:  9.71D-01  1.13D+00
 E= -721.821231767107     Delta-E=       -0.000372488795 Rises=F Damp=F
 DIIS: error= 9.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.821231767107     IErMin= 3 ErrMin= 9.16D-04
 ErrMax= 9.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-04 BMatP= 6.09D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.16D-03
 Coeff-Com: -0.448D-01 0.502D+00 0.543D+00
 Coeff-En:   0.000D+00 0.166D+00 0.834D+00
 Coeff:     -0.444D-01 0.499D+00 0.545D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.31D-04 MaxDP=8.97D-03 DE=-3.72D-04 OVMax= 4.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.66D-04    CP:  9.71D-01  1.14D+00  1.08D+00
 E= -721.821592274081     Delta-E=       -0.000360506974 Rises=F Damp=F
 DIIS: error= 1.47D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.821592274081     IErMin= 4 ErrMin= 1.47D-04
 ErrMax= 1.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-05 BMatP= 5.46D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.47D-03
 Coeff-Com: -0.924D-02 0.181D-01 0.111D+00 0.880D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.922D-02 0.180D-01 0.111D+00 0.880D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.10D-04 MaxDP=5.22D-03 DE=-3.61D-04 OVMax= 1.10D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.49D-05    CP:  9.71D-01  1.15D+00  1.16D+00  1.10D+00
 E= -721.821607323363     Delta-E=       -0.000015049282 Rises=F Damp=F
 DIIS: error= 6.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.821607323363     IErMin= 5 ErrMin= 6.49D-05
 ErrMax= 6.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-06 BMatP= 1.34D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-02-0.552D-01-0.268D-01 0.392D+00 0.688D+00
 Coeff:      0.182D-02-0.552D-01-0.268D-01 0.392D+00 0.688D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=3.54D-05 MaxDP=1.17D-03 DE=-1.50D-05 OVMax= 6.85D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.31D-05    CP:  9.71D-01  1.15D+00  1.17D+00  1.18D+00  1.19D+00
 E= -721.821611081712     Delta-E=       -0.000003758349 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.821611081712     IErMin= 6 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-07 BMatP= 4.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-02-0.269D-01-0.270D-01 0.709D-01 0.305D+00 0.676D+00
 Coeff:      0.199D-02-0.269D-01-0.270D-01 0.709D-01 0.305D+00 0.676D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.15D-05 MaxDP=4.45D-04 DE=-3.76D-06 OVMax= 1.86D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.07D-06    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.27D+00
                    CP:  1.27D+00
 E= -721.821611566565     Delta-E=       -0.000000484853 Rises=F Damp=F
 DIIS: error= 6.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.821611566565     IErMin= 7 ErrMin= 6.46D-06
 ErrMax= 6.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-08 BMatP= 4.99D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-03 0.174D-02-0.216D-02-0.388D-01-0.281D-01 0.142D+00
 Coeff-Com:  0.926D+00
 Coeff:      0.183D-03 0.174D-02-0.216D-02-0.388D-01-0.281D-01 0.142D+00
 Coeff:      0.926D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=7.52D-06 MaxDP=4.14D-04 DE=-4.85D-07 OVMax= 9.25D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.11D-06    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.32D+00
                    CP:  1.41D+00  1.27D+00
 E= -721.821611620886     Delta-E=       -0.000000054321 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.821611620886     IErMin= 8 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-09 BMatP= 2.74D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03 0.281D-02 0.200D-02-0.161D-01-0.335D-01-0.290D-01
 Coeff-Com:  0.225D+00 0.849D+00
 Coeff:     -0.130D-03 0.281D-02 0.200D-02-0.161D-01-0.335D-01-0.290D-01
 Coeff:      0.225D+00 0.849D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.24D-06 MaxDP=1.07D-04 DE=-5.43D-08 OVMax= 3.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.21D-07    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.33D+00
                    CP:  1.45D+00  1.38D+00  1.31D+00
 E= -721.821611626285     Delta-E=       -0.000000005399 Rises=F Damp=F
 DIIS: error= 7.49D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.821611626285     IErMin= 9 ErrMin= 7.49D-07
 ErrMax= 7.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-10 BMatP= 2.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.500D-04 0.588D-03 0.809D-03-0.992D-03-0.643D-02-0.239D-01
 Coeff-Com: -0.320D-01 0.247D+00 0.815D+00
 Coeff:     -0.500D-04 0.588D-03 0.809D-03-0.992D-03-0.643D-02-0.239D-01
 Coeff:     -0.320D-01 0.247D+00 0.815D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.29D-07 MaxDP=2.95D-05 DE=-5.40D-09 OVMax= 1.20D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.23D-07    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.33D+00
                    CP:  1.46D+00  1.41D+00  1.43D+00  1.11D+00
 E= -721.821611626998     Delta-E=       -0.000000000713 Rises=F Damp=F
 DIIS: error= 2.28D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.821611626998     IErMin=10 ErrMin= 2.28D-07
 ErrMax= 2.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-11 BMatP= 3.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.477D-05-0.243D-03-0.517D-04 0.207D-02 0.339D-02-0.190D-02
 Coeff-Com: -0.386D-01-0.602D-01 0.193D+00 0.903D+00
 Coeff:      0.477D-05-0.243D-03-0.517D-04 0.207D-02 0.339D-02-0.190D-02
 Coeff:     -0.386D-01-0.602D-01 0.193D+00 0.903D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=1.18D-05 DE=-7.13D-10 OVMax= 5.19D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.09D-07    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.33D+00
                    CP:  1.46D+00  1.42D+00  1.47D+00  1.20D+00  1.33D+00
 E= -721.821611627090     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 7.03D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.821611627090     IErMin=11 ErrMin= 7.03D-08
 ErrMax= 7.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-12 BMatP= 4.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.616D-05-0.109D-03-0.969D-04 0.524D-03 0.135D-02 0.190D-02
 Coeff-Com: -0.456D-02-0.381D-01-0.433D-01 0.190D+00 0.892D+00
 Coeff:      0.616D-05-0.109D-03-0.969D-04 0.524D-03 0.135D-02 0.190D-02
 Coeff:     -0.456D-02-0.381D-01-0.433D-01 0.190D+00 0.892D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.07D-08 MaxDP=2.97D-06 DE=-9.25D-11 OVMax= 1.88D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.26D-08    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.33D+00
                    CP:  1.46D+00  1.42D+00  1.48D+00  1.22D+00  1.48D+00
                    CP:  1.22D+00
 E= -721.821611627085     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.31D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -721.821611627090     IErMin=12 ErrMin= 2.31D-08
 ErrMax= 2.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-13 BMatP= 4.21D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.720D-06 0.691D-05-0.160D-04-0.152D-03-0.135D-03 0.649D-03
 Coeff-Com:  0.381D-02-0.342D-03-0.323D-01-0.720D-01 0.185D+00 0.915D+00
 Coeff:      0.720D-06 0.691D-05-0.160D-04-0.152D-03-0.135D-03 0.649D-03
 Coeff:      0.381D-02-0.342D-03-0.323D-01-0.720D-01 0.185D+00 0.915D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.29D-08 MaxDP=7.85D-07 DE= 5.46D-12 OVMax= 7.74D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.06D-08    CP:  9.71D-01  1.15D+00  1.17D+00  1.19D+00  1.33D+00
                    CP:  1.46D+00  1.42D+00  1.47D+00  1.22D+00  1.52D+00
                    CP:  1.32D+00  1.21D+00
 E= -721.821611627089     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -721.821611627090     IErMin=13 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-14 BMatP= 5.53D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.682D-06 0.165D-04 0.946D-05-0.105D-03-0.208D-03-0.837D-04
 Coeff-Com:  0.147D-02 0.485D-02-0.183D-02-0.412D-01-0.715D-01 0.193D+00
 Coeff-Com:  0.915D+00
 Coeff:     -0.682D-06 0.165D-04 0.946D-05-0.105D-03-0.208D-03-0.837D-04
 Coeff:      0.147D-02 0.485D-02-0.183D-02-0.412D-01-0.715D-01 0.193D+00
 Coeff:      0.915D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.99D-09 MaxDP=2.79D-07 DE=-4.32D-12 OVMax= 3.34D-07

 SCF Done:  E(RM11) =  -721.821611627     A.U. after   13 cycles
            NFock= 13  Conv=0.70D-08     -V/T= 2.0048
 KE= 7.184073752742D+02 PE=-2.451424322799D+03 EE= 6.369202972126D+02
 Leave Link  502 at Thu Aug 12 21:00:56 2021, MaxMem=  5368709120 cpu:            1271.8 elap:             159.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.52143567D+02

 Leave Link  801 at Thu Aug 12 21:00:56 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4320 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 1.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.67D-01 5.09D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 2.43D-02 3.09D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 2.94D-03 9.51D-03.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 2.56D-04 2.38D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 9.43D-06 3.77D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 2.68D-07 5.27D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 6.45D-09 1.01D-05.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 1.31D-10 1.50D-06.
     10 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.98D-12 1.63D-07.
      5 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 2.95D-14 1.77D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.42D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.921594D+02
      2  0.692274D+00  0.779797D+02
      3 -0.697703D+00 -0.609889D+00  0.613663D+02
 Isotropic polarizability for W=    0.088559       77.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.919257D+02 -0.400197D+01 -0.847098D+00
      2  -0.556788D+02  0.645679D+01  0.204963D+01
      3  -0.362469D+02 -0.245482D+01 -0.120254D+01
      4   0.557356D+01  0.153888D+02 -0.123702D+01
      5   0.384247D+01 -0.316787D+01  0.646253D+02
      6   0.143492D+01  0.564558D+01  0.108744D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.216911D+01 -0.331667D+01 -0.249576D+01
      2   0.278462D+01 -0.102144D+01  0.345666D+02
      3  -0.205309D+01 -0.157966D+02  0.325301D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.193085D+01  0.359594D+01 -0.133292D+02
      2  -0.468957D+01 -0.267194D+01  0.100872D+03
      3   0.957553D+01 -0.710676D+02  0.460279D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.633076D+00 -0.369087D-02  0.668002D+00
      2  -0.369087D-02 -0.126032D+00 -0.966920D+00
      3   0.668002D+00 -0.966920D+00 -0.444574D+00
 OR G Eigenvalues:    -1.3977     0.3075     1.1526  Iso=    -0.0208
 Eigenvectors:
   (1)  -0.252418   0.585204   0.770598
   (2)   0.650003   0.692491  -0.312973
   (3)   0.716785  -0.421891   0.555182
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0208 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       -8.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.83D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.80D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.92D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 3.55D-02 2.57D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 7.74D-04 3.85D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 1.31D-05 4.98D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 1.56D-07 4.37D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 2.20D-09 6.52D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 2.25D-11 5.02D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 1.81D-13 4.51D-08.
      1 vectors produced by pass  8 Test12= 1.74D-14 2.78D-09 XBig12= 1.37D-15 4.23D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.70D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.70D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.94D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.921594D+02  0.692274D+00 -0.697703D+00
      2   0.692274D+00  0.779797D+02 -0.609889D+00
      3  -0.697703D+00 -0.609889D+00  0.613663D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216911D+01 -0.331667D+01 -0.249576D+01
      2   0.278462D+01 -0.102144D+01  0.345666D+02
      3  -0.205309D+01 -0.157966D+02  0.325301D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.919257D+02 -0.400197D+01 -0.847098D+00
      2  -0.556788D+02  0.645679D+01  0.204963D+01
      3  -0.362469D+02 -0.245482D+01 -0.120254D+01
      4   0.557356D+01  0.153888D+02 -0.123702D+01
      5   0.384247D+01 -0.316787D+01  0.646253D+02
      6   0.143492D+01  0.564558D+01  0.108744D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.876921D+01 -0.272025D+01  0.177419D+01 -0.414105D+01  0.122370D+01
      2  -0.272025D+01  0.391006D+00  0.443000D+00  0.122370D+01  0.338063D+01
      3   0.177419D+01  0.443000D+00 -0.595126D+00 -0.841663D-01  0.134339D+01
                 6             7             8             9            10 
      1  -0.841663D-01  0.363172D+01 -0.482597D+00  0.170114D+01  0.170238D+02
      2   0.134339D+01 -0.482597D+00  0.159519D+01  0.832842D+00  0.455672D+00
      3  -0.375417D+00  0.170114D+01  0.832842D+00 -0.640265D+01 -0.235573D+01
                11            12            13            14            15 
      1   0.455672D+00 -0.235573D+01 -0.426198D-01  0.233259D+01 -0.194830D+00
      2   0.100633D+01 -0.618260D+00  0.233259D+01 -0.576591D+01 -0.354773D+01
      3  -0.618260D+00  0.250709D+01 -0.194830D+00 -0.354773D+01 -0.255971D+01
                16            17            18            19            20 
      1  -0.406418D+01 -0.144778D+00  0.396213D+01  0.365456D+01  0.298173D+01
      2  -0.144778D+00 -0.381501D+01 -0.181969D+01  0.298173D+01 -0.885783D+00
      3   0.396213D+01 -0.181969D+01 -0.182621D+01 -0.270533D+00  0.460830D+00
                21            22            23            24            25 
      1  -0.270533D+00  0.549864D+01  0.268825D+00 -0.850675D-01 -0.204980D+01
      2   0.460830D+00  0.268825D+00 -0.214598D+01 -0.787893D+00  0.116115D+01
      3  -0.826788D+00 -0.850675D-01 -0.787893D+00  0.902893D+00 -0.808336D+00
                26            27            28            29            30 
      1   0.116115D+01 -0.808336D+00 -0.191592D+01 -0.139050D+01  0.106041D+01
      2  -0.116359D+01  0.255993D+00 -0.139050D+01 -0.201515D+01 -0.130962D-01
      3   0.255993D+00  0.580107D+01  0.106041D+01 -0.130962D-01 -0.137689D+01
                31            32            33            34            35 
      1  -0.167983D+01 -0.245609D+01  0.397778D+00  0.154893D+01  0.150989D+00
      2  -0.245609D+01  0.432616D+01  0.588611D+00  0.150989D+00  0.596953D+00
      3   0.397778D+00  0.588611D+00 -0.108264D+01 -0.167478D+01 -0.840763D+00
                36            37            38            39            40 
      1  -0.167478D+01 -0.483362D+01 -0.207347D+01 -0.127330D+00 -0.239537D+01
      2  -0.840763D+00 -0.207347D+01  0.794747D+00  0.169832D-01  0.199585D+01
      3  -0.387166D+01 -0.127330D+00  0.169832D-01 -0.663200D+00 -0.555375D-01
                41            42            43            44            45 
      1   0.199585D+01 -0.555375D-01  0.441505D+00 -0.161517D+00 -0.272699D+00
      2   0.590609D+01  0.660455D-02 -0.161517D+00  0.451775D+00  0.217138D+00
      3   0.660455D-02  0.326184D+00 -0.272699D+00  0.217138D+00 -0.238374D+00
                46            47            48            49            50 
      1  -0.169832D+01 -0.330449D+01  0.358375D-01 -0.376733D+01 -0.284075D+01
      2  -0.330449D+01 -0.247537D+01 -0.142143D+00 -0.284075D+01 -0.129005D+02
      3   0.358375D-01 -0.142143D+00 -0.686306D-01 -0.324454D-01  0.313703D-01
                51            52            53            54            55 
      1  -0.324454D-01 -0.103574D+00  0.381285D-01 -0.110353D+01 -0.851234D+01
      2   0.313703D-01  0.381285D-01  0.161706D+00 -0.312306D+01  0.173475D+01
      3  -0.222689D+01 -0.110353D+01 -0.312306D+01  0.202449D+00  0.239086D+00
                56            57            58            59            60 
      1   0.173475D+01  0.239086D+00 -0.153496D+01 -0.366578D+01 -0.121805D+00
      2  -0.215808D+01 -0.191136D+00 -0.366578D+01 -0.978817D+00  0.150405D+00
      3  -0.191136D+00 -0.704386D+00 -0.121805D+00  0.150405D+00  0.402317D+00
                61            62            63            64            65 
      1   0.105875D+01  0.225967D-01 -0.190949D+01  0.308787D+00 -0.572664D+00
      2   0.225967D-01  0.470727D-01  0.117328D+01 -0.572664D+00  0.298735D+00
      3  -0.190949D+01  0.117328D+01  0.392509D+00 -0.987039D+00 -0.474796D-01
                66            67            68            69            70 
      1  -0.987039D+00 -0.118241D+01  0.918549D-01  0.682232D-01 -0.173331D+01
      2  -0.474796D-01  0.918549D-01  0.430031D+00 -0.999801D+00 -0.192848D+00
      3   0.800261D+00  0.682232D-01 -0.999801D+00 -0.280552D+00  0.191458D+00
                71            72            73            74            75 
      1  -0.192848D+00  0.191458D+00  0.109860D+00  0.114163D+00  0.964436D+00
      2  -0.131863D+01 -0.749870D-01  0.114163D+00 -0.642898D-01 -0.291202D-01
      3  -0.749870D-01 -0.724381D+01  0.964436D+00 -0.291202D-01 -0.570529D+00
                76            77            78            79            80 
      1   0.100245D+01 -0.322745D+00 -0.153943D+00  0.275828D+01  0.197674D+00
      2  -0.322745D+00 -0.738478D+00  0.930882D+00  0.197674D+00  0.117014D+01
      3  -0.153943D+00  0.930882D+00  0.214163D+00 -0.172398D+01 -0.134516D+01
                81            82            83            84            85 
      1  -0.172398D+01 -0.246668D+00 -0.605458D+00 -0.561330D+00 -0.189859D+01
      2  -0.134516D+01 -0.605458D+00 -0.310853D-01 -0.202919D-01 -0.769859D+00
      3   0.792231D+01 -0.561330D+00 -0.202919D-01 -0.779878D-01 -0.125401D+00
                86            87            88            89            90 
      1  -0.769859D+00 -0.125401D+00 -0.171000D+01 -0.258857D+00 -0.332913D+00
      2  -0.765096D+01 -0.665796D+00 -0.258857D+00 -0.142236D+01 -0.115823D+01
      3  -0.665796D+00 -0.100258D+01 -0.332913D+00 -0.115823D+01 -0.102502D+00
                91            92            93            94            95 
      1   0.184422D+01  0.175012D+01 -0.657248D-01  0.459561D+01  0.985370D-01
      2   0.175012D+01  0.550438D+00  0.983323D-01  0.985370D-01  0.450430D+01
      3  -0.657248D-01  0.983323D-01 -0.453341D+00  0.815036D-02  0.255235D-01
                96            97            98            99           100 
      1   0.815036D-02 -0.295256D+00 -0.759328D-01 -0.622170D+00  0.222166D+01
      2   0.255235D-01 -0.759328D-01 -0.170576D+00  0.506818D+00  0.192172D+01
      3   0.798289D+00 -0.622170D+00  0.506818D+00 -0.167367D-01 -0.903935D+00
               101           102           103           104           105 
      1   0.192172D+01 -0.903935D+00  0.256882D+01  0.188020D+01 -0.698216D+00
      2   0.272634D+01 -0.754227D+00  0.188020D+01  0.342838D+01 -0.891659D+00
      3  -0.754227D+00  0.108522D+01 -0.698216D+00 -0.891659D+00  0.115145D+01
               106           107           108           109           110 
      1  -0.220722D+01 -0.926515D+00  0.955114D+00 -0.229520D+00  0.544494D+00
      2  -0.926515D+00 -0.187986D+01  0.135019D+01  0.544494D+00  0.434546D+00
      3   0.955114D+00  0.135019D+01 -0.147096D+01  0.400660D+00  0.625899D+00
               111           112           113           114           115 
      1   0.400660D+00  0.599630D+00  0.242964D+00  0.385489D+00  0.144734D+01
      2   0.625899D+00  0.242964D+00  0.124674D+01  0.812893D+00  0.242513D+00
      3   0.582447D+00  0.385489D+00  0.812893D+00  0.993289D+00  0.968934D+00
               116           117           118           119           120 
      1   0.242513D+00  0.968934D+00  0.104269D+01  0.116417D+01  0.797004D+00
      2   0.218550D+01  0.195589D+01  0.116417D+01  0.142762D+01  0.170709D+00
      3   0.195589D+01  0.575102D+01  0.797004D+00  0.170709D+00  0.361860D+00
               121           122           123           124           125 
      1   0.237700D+01  0.192071D+01  0.691771D+00  0.127682D+01  0.429994D+00
      2   0.192071D+01  0.695826D+01  0.300320D+01  0.429994D+00  0.356169D+01
      3   0.691771D+00  0.300320D+01  0.273921D+01  0.669113D+00  0.206974D+01
               126 
      1   0.669113D+00
      2   0.206974D+01
      3   0.110355D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.173559D+01 -0.139661D+01  0.932256D+00 -0.572050D+00  0.569999D+01
      2   0.454990D+01  0.163617D+01 -0.234933D+01 -0.311702D+00  0.118251D+01
      3   0.555571D+01  0.252835D+01 -0.281423D+01  0.122248D+02 -0.394000D+01
                 6             7             8             9            10 
      1  -0.253002D+01  0.286598D+01  0.346214D+01 -0.497987D+01 -0.125748D+00
      2  -0.202358D+01 -0.102099D+02 -0.101188D+00 -0.289386D+01 -0.981108D+01
      3  -0.253866D+01 -0.181723D+01 -0.122489D+01 -0.165676D+01 -0.932850D+01
                11            12            13            14            15 
      1   0.190874D+01  0.865160D+00  0.212921D+01 -0.958738D+00 -0.595933D+01
      2  -0.176303D+01  0.125980D+02 -0.156187D-01 -0.105553D+02 -0.852862D+01
      3  -0.846027D+01  0.236051D+01  0.988576D+01  0.180673D+02  0.106865D+02
                16            17            18            19            20 
      1   0.328517D+01  0.993910D+01  0.506941D+00 -0.225596D+01  0.657060D+00
      2  -0.545391D+01 -0.551154D+01 -0.378428D+01  0.379749D+01 -0.112284D+01
      3  -0.116842D+01  0.114764D+02  0.323164D+01  0.458357D+01 -0.682005D+01
                21            22            23            24            25 
      1  -0.857166D+00  0.760200D+00  0.760471D-01 -0.523276D+00 -0.227321D+01
      2   0.371501D+01  0.159185D+01 -0.237119D+01  0.352853D+01 -0.322015D+01
      3   0.671814D+00 -0.238024D+01 -0.282923D+01  0.522073D+00  0.110309D+01
                26            27            28            29            30 
      1   0.414764D+01 -0.231623D+00 -0.291543D+01 -0.799567D+00  0.461073D+01
      2   0.530229D+00 -0.511352D+01 -0.157317D+01  0.163849D+01  0.541876D+01
      3   0.170079D+01 -0.187656D+00 -0.590012D+01 -0.114262D+02  0.184589D+01
                31            32            33            34            35 
      1  -0.222108D+01 -0.306520D+01 -0.231224D+01  0.459758D+01  0.650703D+01
      2   0.160488D+00  0.100211D+01 -0.124081D+01 -0.189531D+01 -0.196858D+00
      3   0.747783D+00 -0.352885D-01  0.947617D+00  0.452327D+01  0.435107D+00
                36            37            38            39            40 
      1   0.815248D+01  0.137729D+01  0.681628D+00  0.239629D+00  0.166828D+01
      2   0.340083D+01 -0.413313D+01 -0.525654D-01 -0.611360D+01 -0.170447D+01
      3  -0.478289D+01 -0.624624D+01  0.108444D+01 -0.233441D+00  0.231937D+01
                41            42            43            44            45 
      1   0.237190D+00  0.886312D+01  0.479909D+00  0.921208D+01 -0.302929D+00
      2   0.145814D+01 -0.279435D+01 -0.196839D+02 -0.266459D+01  0.358894D+01
      3   0.119019D+02 -0.136722D+01  0.277498D+01 -0.165996D+01  0.119379D+01
                46            47            48            49            50 
      1   0.778037D-01  0.571651D-01 -0.262314D+01  0.294979D-01  0.924363D+00
      2  -0.667020D-01  0.656772D-01  0.540555D+01 -0.951767D+00 -0.100866D+01
      3  -0.187384D+01 -0.582840D+01  0.329703D-01  0.906324D+01 -0.229341D+02
                51            52            53            54            55 
      1  -0.107162D+02 -0.678416D+00  0.883135D+00  0.483479D+00 -0.853453D+00
      2   0.548272D+01  0.342054D+01  0.602444D+01 -0.115692D+01 -0.200810D+00
      3   0.605835D+00 -0.172427D+01  0.453257D+00 -0.553326D+01 -0.412728D+01
                56            57            58            59            60 
      1  -0.261291D+00  0.256591D+01  0.203087D+00 -0.192677D+00 -0.360596D+01
      2  -0.243159D+00  0.919885D+01  0.126943D+01 -0.575688D-01 -0.135439D+01
      3  -0.168596D+02  0.156474D+00 -0.135310D+02 -0.792034D+01 -0.151665D+00
                61            62            63            64            65 
      1   0.350114D+00  0.201740D+01 -0.276736D+00  0.504741D+00 -0.795209D+00
      2   0.706317D+01 -0.107938D+01 -0.206025D+01  0.184494D+01 -0.139158D+00
      3  -0.338285D+00  0.178723D+01  0.233085D+01  0.303947D+00 -0.260422D+00
                66            67            68            69            70 
      1   0.162949D+00 -0.496578D+00 -0.342647D+00 -0.287440D+00  0.209768D+00
      2  -0.781791D-01 -0.346440D+00  0.699380D+00 -0.100885D+00 -0.264606D+01
      3  -0.223644D+00  0.179133D+01  0.190478D+00 -0.114335D+00 -0.375281D+00
                71            72            73            74            75 
      1   0.259266D+01  0.131270D+01  0.682349D+00 -0.875438D+00 -0.871695D+00
      2  -0.117665D+00  0.328789D+01  0.218543D+01 -0.316976D+00  0.195798D+01
      3  -0.547029D+00  0.112974D+01  0.319742D+00 -0.194151D+01 -0.421731D+00
                76            77            78            79            80 
      1  -0.635063D+00  0.282816D+00 -0.115923D+00 -0.215783D+01  0.167038D+01
      2  -0.540950D+00  0.868404D+00  0.192134D+00 -0.471804D+01 -0.974242D+00
      3   0.259769D+00  0.910752D+00 -0.374332D+00 -0.268387D+01 -0.641283D+00
                81            82            83            84            85 
      1   0.700462D+01 -0.817700D+00 -0.135535D+00 -0.478048D+00 -0.263597D+00
      2   0.541099D+01 -0.459597D+00  0.235057D+00  0.106512D+01 -0.746770D-01
      3   0.279173D+01  0.245815D+01  0.202660D+00  0.733369D+00  0.612190D+01
                86            87            88            89            90 
      1  -0.358239D+01 -0.310160D+01 -0.517137D+00 -0.925026D+00 -0.309937D+00
      2  -0.112203D+00 -0.655881D+00 -0.120801D+01 -0.779002D+00 -0.321341D+00
      3   0.896428D+01  0.942498D+00  0.269178D+01  0.204706D+01  0.145490D+01
                91            92            93            94            95 
      1   0.443695D+00  0.141625D+00  0.893293D+00 -0.274382D-01  0.378437D+00
      2  -0.146745D+00 -0.464083D+00 -0.114644D+01 -0.151535D+00 -0.372231D+00
      3   0.919754D+01  0.868136D+01  0.180442D+00  0.121688D+02  0.170344D+02
                96            97            98            99           100 
      1  -0.102374D+01  0.850453D+00  0.114942D+01  0.233376D+00  0.227945D+01
      2  -0.219449D+01 -0.177877D+01 -0.170570D+01  0.439709D-01  0.188777D+01
      3   0.519008D+00 -0.353154D+00 -0.967040D+00  0.162860D+00  0.815896D+01
               101           102           103           104           105 
      1   0.154628D+01 -0.334889D+01  0.158502D+01  0.178264D+01 -0.245621D+01
      2  -0.579506D-01 -0.143151D+00  0.257343D+00  0.497440D+00  0.694584D+00
      3   0.405106D+01 -0.241894D+01  0.799359D+01  0.424691D+01 -0.191886D+01
               106           107           108           109           110 
      1  -0.276691D+01 -0.115706D+01  0.225801D+01 -0.681905D+00 -0.448815D+00
      2  -0.218727D+01  0.368544D+00 -0.727143D+00 -0.122473D+01  0.101060D+00
      3  -0.643829D+01 -0.239830D+01  0.224187D+01  0.839199D+00  0.915339D+00
               111           112           113           114           115 
      1  -0.200583D+01 -0.470675D+00 -0.176331D+01 -0.261163D+01 -0.289410D+01
      2  -0.548789D+00 -0.680303D-01 -0.681031D+00  0.512434D-01 -0.318500D+01
      3   0.655196D+00  0.213566D+01  0.701983D+00  0.130991D+01  0.335673D+01
               116           117           118           119           120 
      1  -0.217694D+01 -0.122601D+02  0.549271D+00 -0.280032D+00 -0.851603D-01
      2  -0.585926D+00 -0.272851D+01  0.301286D+01  0.174037D+00  0.170668D+01
      3   0.160380D+01  0.382092D+01 -0.427836D+01 -0.484873D+01 -0.224359D+00
               121           122           123           124           125 
      1  -0.135125D+01  0.832736D+00 -0.430605D+01 -0.101386D+01  0.166001D+01
      2   0.886084D+00  0.945015D+01  0.894380D+01 -0.368525D+00  0.647718D+01
      3  -0.272966D+01 -0.240434D+02 -0.941665D+01  0.448963D+00 -0.120651D+02
               126 
      1  -0.189078D+01
      2   0.340150D+01
      3  -0.619773D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.454728D+02 -0.607900D+01  0.536512D+01 -0.165896D+02  0.122308D+02
      2   0.245946D+02  0.353941D+01 -0.468553D+01  0.986446D+01 -0.142896D+02
      3   0.208783D+02  0.253959D+01 -0.679592D+00  0.672518D+01  0.205878D+01
      4  -0.232138D+00 -0.498377D+01  0.214720D+01  0.807681D+01  0.171274D+01
      5   0.742999D+01  0.336460D+01 -0.108980D+02 -0.675368D+00  0.229822D+01
      6  -0.471382D+01  0.121696D+01 -0.906152D+00  0.102200D+01 -0.368643D+01
                 6             7             8             9            10 
      1   0.127296D+01  0.121767D+02 -0.144181D+00  0.155883D+02  0.101291D+03
      2  -0.293764D+01 -0.101705D+02 -0.288160D+01 -0.985303D-01 -0.559678D+02
      3   0.166468D+01 -0.200616D+01  0.302578D+01 -0.154898D+02 -0.453229D+02
      4   0.147778D+01 -0.268164D+01  0.191446D+01  0.169282D+01 -0.467506D+01
      5  -0.376414D+01  0.621104D+01  0.129811D+01 -0.611416D+01 -0.124468D+02
      6   0.163425D+01 -0.643194D+00  0.133447D+01  0.411611D+01  0.121356D-01
                11            12            13            14            15 
      1   0.131785D+01 -0.134441D+02  0.561915D+01  0.140257D+01 -0.227882D+00
      2  -0.284616D+01  0.647544D+01 -0.756965D+01  0.883826D+01 -0.373960D+01
      3   0.152831D+01  0.696867D+01  0.195049D+01 -0.102408D+02  0.396748D+01
      4   0.164990D+02 -0.472026D+01  0.249787D+02 -0.351863D+02 -0.171300D+02
      5  -0.544196D+01  0.286752D+02 -0.366317D+01 -0.186900D+02 -0.134037D+02
      6   0.400342D+00 -0.112659D+01 -0.169678D+01 -0.668672D+01  0.145730D+02
                16            17            18            19            20 
      1  -0.188268D+02  0.277327D+01  0.425935D+01 -0.301994D+01 -0.240405D+01
      2   0.792916D+01 -0.756805D+00 -0.212498D+02  0.557065D+01  0.976866D+00
      3   0.108976D+02 -0.201646D+01  0.169905D+02 -0.255071D+01  0.142719D+01
      4  -0.307635D+00 -0.187061D+02 -0.117021D+02 -0.613459D+01  0.684161D+01
      5   0.358858D+02 -0.114243D+02 -0.649233D+01  0.318425D+01 -0.102475D+00
      6  -0.398404D+01  0.113643D+02 -0.359585D+01  0.119243D+01 -0.115528D+01
                21            22            23            24            25 
      1  -0.420173D+00  0.842339D+01  0.853968D+00  0.192883D+01 -0.930350D+01
      2  -0.131628D+01 -0.377469D+01 -0.561674D+01 -0.687284D+00  0.453733D+01
      3   0.173645D+01 -0.464870D+01  0.476277D+01 -0.124154D+01  0.476616D+01
      4  -0.659282D+00 -0.712086D+01  0.862717D+01 -0.119152D+01 -0.279739D+01
      5   0.207822D+01  0.907581D-01 -0.302109D+00  0.425535D+01 -0.139633D+01
      6  -0.713589D-01 -0.232503D+01 -0.558217D+00 -0.231173D+01  0.260746D+00
                26            27            28            29            30 
      1   0.133485D+01  0.577899D+01  0.164695D+02  0.678663D+01  0.923378D+00
      2  -0.371888D+01  0.902206D+01 -0.133392D+02 -0.998897D+01  0.182128D+01
      3   0.238404D+01 -0.148010D+02 -0.313027D+01  0.320234D+01 -0.274465D+01
      4  -0.517521D+00  0.847773D+00 -0.532070D+01 -0.311991D+01  0.294627D+01
      5  -0.799695D-01 -0.305236D+01  0.592050D+00  0.122749D+01  0.517730D+01
      6   0.113651D+01  0.135515D+01  0.522248D+01  0.192004D+01 -0.830210D+01
                31            32            33            34            35 
      1   0.277766D+01 -0.145057D+02 -0.137150D+01 -0.770042D+00  0.120493D+00
      2  -0.854090D+01  0.247787D+02  0.372071D+01  0.239020D+01  0.421324D+01
      3   0.576324D+01 -0.102730D+02 -0.234921D+01 -0.162016D+01 -0.433373D+01
      4   0.299310D+01 -0.137075D+02  0.111580D+01  0.369457D+01  0.949880D+00
      5   0.793369D+00  0.186661D+00 -0.294325D+01  0.430075D+01 -0.264241D+01
      6   0.279032D+01  0.429896D+01  0.157463D+01 -0.910460D+01 -0.140454D+01
                36            37            38            39            40 
      1   0.458963D+01 -0.804000D+01  0.115536D+02 -0.594368D+00 -0.784561D+00
      2  -0.196265D+01  0.217844D+01 -0.109103D+02 -0.139555D+01 -0.411766D+01
      3  -0.262698D+01  0.586156D+01 -0.643275D+00  0.198992D+01  0.490222D+01
      4  -0.710727D+01  0.672318D+01 -0.127434D+02  0.198556D+00 -0.209277D+02
      5   0.199111D+01 -0.917418D+00 -0.385150D+00 -0.796326D+01 -0.246901D+01
      6  -0.131317D+02 -0.611235D+00 -0.258249D+00  0.135095D+01 -0.785102D+00
                41            42            43            44            45 
      1   0.781179D+01 -0.119319D+00  0.302186D+01 -0.295442D+01 -0.439236D+01
      2  -0.190043D+02  0.142036D+00 -0.286837D+01  0.198117D+01 -0.641673D+01
      3   0.111925D+02 -0.227166D-01 -0.153487D+00  0.973246D+00  0.108091D+02
      4  -0.291412D+02  0.501173D+00  0.344776D+00  0.239124D+01 -0.248568D+01
      5  -0.217944D+00 -0.311857D+01  0.287532D+01 -0.201075D+01  0.377193D+01
      6  -0.140201D+01 -0.123479D+02 -0.300320D+00  0.329136D+01  0.799659D+00
                46            47            48            49            50 
      1   0.121381D+02  0.688761D+01 -0.227271D+00  0.105557D+02 -0.235629D+02
      2  -0.188328D+01  0.215767D+01  0.520535D+00  0.245950D+01  0.438774D+02
      3  -0.102548D+02 -0.904528D+01 -0.293264D+00 -0.130152D+02 -0.203145D+02
      4   0.197595D+02  0.238882D+02 -0.349025D-01  0.256178D+02  0.563192D+02
      5   0.550800D+00  0.231494D+00  0.843891D+01  0.154870D+01  0.776889D+00
      6   0.494184D+00  0.463644D+00  0.360169D+01  0.109978D+01  0.134647D+01
                51            52            53            54            55 
      1  -0.418927D+00 -0.616507D+00  0.444153D-01 -0.402385D+01  0.558966D+02
      2   0.576519D-02  0.975986D+00 -0.639992D+00  0.326843D+01 -0.327431D+02
      3   0.413162D+00 -0.359479D+00  0.595576D+00  0.755425D+00 -0.231535D+02
      4   0.183190D+00 -0.293680D+00 -0.108400D+01  0.132166D+02 -0.209704D+02
      5   0.107785D+02  0.968788D+01  0.135160D+02 -0.804567D+00 -0.658465D+00
      6   0.165479D+02  0.422072D+01  0.143140D+02 -0.323218D+00  0.467814D+00
                56            57            58            59            60 
      1  -0.910712D+01  0.366841D-01  0.563992D+01  0.129560D+02 -0.587735D+00
      2   0.275023D+01  0.519207D+00 -0.669456D+01 -0.516670D+01  0.195861D+00
      3   0.635689D+01 -0.555891D+00  0.105464D+01 -0.778929D+01  0.391873D+00
      4   0.202044D+02  0.251365D+00  0.202921D+02 -0.300862D+01 -0.857170D+00
      5  -0.166097D+00  0.170836D+02 -0.158891D+00 -0.902302D+00 -0.401872D+01
      6  -0.202992D+00 -0.425320D+01 -0.786275D+00  0.758983D+00  0.697497D+01
                61            62            63            64            65 
      1  -0.148147D+01  0.817757D+00  0.684092D+01  0.345068D+00  0.600989D+00
      2   0.146371D+01  0.381575D-01 -0.872711D+01 -0.344460D+01 -0.257766D+00
      3   0.177591D-01 -0.855914D+00  0.188619D+01  0.309953D+01 -0.343224D+00
      4   0.627570D+00 -0.146194D+01 -0.585984D+01  0.319502D+00  0.272829D+00
      5   0.163908D+02 -0.657065D+01 -0.338914D+01 -0.685136D+00  0.461893D-02
      6  -0.201023D+01  0.495416D+01  0.537976D+00 -0.504178D+00  0.294632D+00
                66            67            68            69            70 
      1   0.669957D+00  0.131694D+00 -0.439589D+01 -0.263493D+00  0.215160D+01
      2   0.102117D+01  0.625168D+00  0.720864D+00 -0.877193D+00  0.760140D+00
      3  -0.169113D+01 -0.756861D+00  0.367502D+01  0.114069D+01 -0.291174D+01
      4  -0.193382D+00  0.203245D+01 -0.815309D+00  0.401239D+00  0.105276D+01
      5   0.411098D+01  0.210437D+00  0.102574D+00 -0.224692D+00  0.388981D+01
      6   0.287634D+00  0.193415D+00  0.442135D+00  0.607111D+01  0.210695D+00
                71            72            73            74            75 
      1   0.113382D+01 -0.170798D+02  0.289470D+01  0.149294D-01  0.366224D+01
      2  -0.113656D+01 -0.126461D+02 -0.453266D+01  0.985922D-01  0.495611D+00
      3   0.274352D-02  0.297259D+02  0.163796D+01 -0.113522D+00 -0.415785D+01
      4   0.936474D+00 -0.887198D+00  0.315731D+00  0.284188D+01 -0.172886D+01
      5  -0.809575D-01  0.247490D+01 -0.104986D+01 -0.121072D+01  0.717327D+01
      6   0.363960D+01 -0.249250D+01 -0.769394D+00 -0.100338D+01  0.949861D+00
                76            77            78            79            80 
      1   0.250329D+01 -0.531144D+01  0.862592D+00  0.109914D+02  0.480564D+01
      2  -0.994366D+00  0.269756D+01 -0.995132D+00 -0.172003D+01 -0.567019D+00
      3  -0.150892D+01  0.261387D+01  0.132541D+00 -0.927134D+01 -0.423862D+01
      4   0.681922D+00 -0.805002D+00  0.891676D+00 -0.966262D+00  0.659959D+00
      5  -0.101838D+01  0.724450D+00  0.166937D+00  0.151775D+01 -0.154838D+01
      6  -0.127841D+01 -0.197315D+01  0.539256D+01  0.170710D+01  0.578256D+01
                81            82            83            84            85 
      1  -0.261547D+02  0.233538D+01 -0.847196D+00 -0.932257D+00 -0.585352D+01
      2  -0.726022D+01  0.119626D+01  0.660796D+00  0.124156D+01  0.483822D+01
      3   0.334150D+02 -0.353163D+01  0.186400D+00 -0.309305D+00  0.101530D+01
      4  -0.116141D+01  0.324064D+00  0.475705D+01  0.336166D+00  0.280012D+01
      5   0.724838D+01 -0.766808D+00 -0.149806D+00  0.151607D+01 -0.965738D+00
      6  -0.105792D+02  0.945946D+00  0.974029D-01  0.180540D+00 -0.163402D+00
                86            87            88            89            90 
      1  -0.196485D+02 -0.153438D+01 -0.391602D+01 -0.370916D+01 -0.541651D+01
      2   0.288770D+02  0.310719D+01  0.299763D+01  0.455779D+01  0.279234D+01
      3  -0.922853D+01 -0.157281D+01  0.918390D+00 -0.848632D+00  0.262417D+01
      4  -0.107392D+02 -0.851099D+00 -0.223428D+00 -0.230936D+01 -0.136541D+01
      5  -0.119632D+01 -0.139523D+01  0.544114D+00 -0.150275D+01 -0.537749D+00
      6   0.471469D+00  0.446322D+01  0.827596D+00  0.560867D+01  0.138164D+01
                91            92            93            94            95 
      1  -0.135272D+02 -0.430022D+01 -0.114501D+00 -0.163437D+02 -0.648372D+01
      2   0.106121D+02  0.122133D+01  0.200914D+00  0.873648D+01  0.974836D+01
      3   0.291504D+01  0.307890D+01 -0.864132D-01  0.760727D+01 -0.326464D+01
      4  -0.254972D+01 -0.815198D+00 -0.281592D+00  0.685192D+01 -0.190875D+02
      5   0.381492D+00  0.306261D+00 -0.147255D+01  0.646657D+00  0.404503D+00
      6  -0.847795D-01 -0.234557D-01 -0.174699D+01  0.245332D+00 -0.131753D+00
                96            97            98            99           100 
      1   0.189494D+00  0.907361D+00  0.385868D+00 -0.621829D+00 -0.313720D+01
      2  -0.171490D+00 -0.558587D+00 -0.423335D+00  0.328112D-01  0.674413D+01
      3  -0.180039D-01 -0.348775D+00  0.374671D-01  0.589018D+00 -0.360693D+01
      4  -0.801790D-01 -0.672074D-01  0.501831D+00 -0.260248D+01  0.748811D+01
      5  -0.395709D+01  0.303853D+01 -0.237040D+01  0.143863D+00 -0.185735D+01
      6   0.153733D+01 -0.150081D+01  0.242971D+01 -0.251887D+00 -0.526689D+01
               101           102           103           104           105 
      1  -0.748528D+01  0.156847D+01 -0.477270D+01 -0.953511D+01  0.258450D+01
      2   0.120935D+02 -0.321906D+01  0.827056D+01  0.154948D+02 -0.446495D+01
      3  -0.460818D+01  0.165060D+01 -0.349786D+01 -0.595972D+01  0.188045D+01
      4   0.859209D+01 -0.328379D+01  0.863501D+01  0.750616D+01 -0.299078D+01
      5  -0.162229D+01  0.155862D+01 -0.342450D+00 -0.163780D+01  0.161430D+01
      6  -0.511005D+01  0.591139D+01 -0.421300D+01 -0.584802D+01  0.533455D+01
               106           107           108           109           110 
      1   0.249657D+01  0.555909D+01 -0.528166D+01 -0.183466D+01 -0.218596D+01
      2  -0.349396D+01 -0.665609D+01  0.332942D+01  0.133734D+01  0.246490D+01
      3   0.997384D+00  0.109699D+01  0.195224D+01  0.497325D+00 -0.278936D+00
      4  -0.489706D+01 -0.358868D+01  0.425316D+01  0.363027D-01  0.275218D+01
      5   0.185681D+01  0.204853D+01 -0.246069D+01  0.796135D+00  0.842394D+00
      6   0.538215D+01  0.771704D+01 -0.619732D+01  0.129446D+01  0.287008D+01
               111           112           113           114           115 
      1  -0.212919D+01 -0.362950D+00 -0.430240D+01 -0.287241D+01 -0.906384D+00
      2   0.119328D+01  0.601943D+00  0.448123D+01  0.304259D+01 -0.169836D+00
      3   0.935914D+00 -0.238994D+00 -0.178833D+00 -0.170182D+00  0.107622D+01
      4   0.155442D+01  0.331851D+01  0.156419D+01  0.128873D+01  0.335027D+01
      5   0.154888D+01  0.180398D+00  0.421085D+00  0.948989D+00  0.207058D+01
      6   0.367873D+01  0.205704D+01  0.385441D+01  0.689647D+01  0.430804D+01
               116           117           118           119           120 
      1  -0.729804D+01 -0.120105D+02  0.654102D+01  0.617030D+01  0.470575D+01
      2   0.535859D+01 -0.668652D+00 -0.176250D+01 -0.242159D+01 -0.240743D+01
      3   0.193945D+01  0.126791D+02 -0.477852D+01 -0.374872D+01 -0.229832D+01
      4   0.137441D+01  0.252307D+01  0.560848D+01  0.129927D+02  0.285819D+01
      5   0.308384D+00  0.119027D+00  0.474938D+01  0.249174D+01  0.433906D+01
      6   0.980856D+01  0.218021D+02  0.232084D+01  0.490302D+00  0.445595D+00
               121           122           123           124           125 
      1   0.859480D+01  0.504227D+00  0.963872D+00  0.454036D+01 -0.246281D+01
      2  -0.278147D+01  0.853588D+01  0.284594D+01 -0.160769D+01  0.103793D+01
      3  -0.581333D+01 -0.904010D+01 -0.380982D+01 -0.293267D+01  0.142488D+01
      4   0.139295D+02  0.374534D+02  0.165434D+02  0.316435D+01  0.189394D+02
      5   0.582269D+01  0.180321D+02  0.150612D+02  0.528658D+01  0.117518D+02
      6   0.314241D+01  0.850399D+01  0.502590D+01  0.131842D+01  0.800326D+01
               126 
      1  -0.298689D+01
      2  -0.326115D+00
      3   0.331300D+01
      4   0.106380D+02
      5   0.640409D+01
      6   0.596914D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:23:28 2021, MaxMem=  5368709120 cpu:           10811.4 elap:            1351.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.46195 -19.51933 -19.46807 -14.65270 -10.58112
 Alpha  occ. eigenvalues --  -10.51091 -10.49081  -8.12901  -6.12135  -6.11841
 Alpha  occ. eigenvalues --   -6.11304  -1.25477  -1.16456  -1.07634  -0.94984
 Alpha  occ. eigenvalues --   -0.86714  -0.77541  -0.73570  -0.68994  -0.64331
 Alpha  occ. eigenvalues --   -0.61285  -0.59577  -0.57681  -0.56404  -0.52938
 Alpha  occ. eigenvalues --   -0.50592  -0.49324  -0.45203  -0.43933  -0.42590
 Alpha  occ. eigenvalues --   -0.38818  -0.36058
 Alpha virt. eigenvalues --   -0.02372  -0.00585   0.00085   0.00146   0.02196
 Alpha virt. eigenvalues --    0.02303   0.02423   0.04065   0.05110   0.06782
 Alpha virt. eigenvalues --    0.07428   0.07816   0.08477   0.08726   0.09536
 Alpha virt. eigenvalues --    0.10304   0.11320   0.11557   0.12430   0.12606
 Alpha virt. eigenvalues --    0.13709   0.14047   0.14242   0.15435   0.16085
 Alpha virt. eigenvalues --    0.16411   0.17314   0.18862   0.20399   0.21931
 Alpha virt. eigenvalues --    0.22641   0.23369   0.24197   0.25221   0.25764
 Alpha virt. eigenvalues --    0.25936   0.26648   0.27485   0.28027   0.29500
 Alpha virt. eigenvalues --    0.30543   0.31219   0.31638   0.33694   0.34755
 Alpha virt. eigenvalues --    0.35730   0.36298   0.37037   0.37929   0.39132
 Alpha virt. eigenvalues --    0.39708   0.40330   0.41598   0.42423   0.43582
 Alpha virt. eigenvalues --    0.44653   0.46346   0.46626   0.47281   0.48344
 Alpha virt. eigenvalues --    0.49375   0.49789   0.50694   0.51382   0.52265
 Alpha virt. eigenvalues --    0.54167   0.54802   0.55417   0.57450   0.57972
 Alpha virt. eigenvalues --    0.58408   0.59536   0.61127   0.61986   0.62959
 Alpha virt. eigenvalues --    0.63292   0.65133   0.66303   0.67342   0.68224
 Alpha virt. eigenvalues --    0.68999   0.70348   0.72144   0.73982   0.75529
 Alpha virt. eigenvalues --    0.76645   0.77159   0.78084   0.80322   0.80957
 Alpha virt. eigenvalues --    0.83455   0.84580   0.86985   0.87191   0.88751
 Alpha virt. eigenvalues --    0.90568   0.91932   0.94878   0.96005   0.98127
 Alpha virt. eigenvalues --    0.98556   0.99335   1.01943   1.02799   1.04114
 Alpha virt. eigenvalues --    1.05743   1.06771   1.07986   1.08399   1.09995
 Alpha virt. eigenvalues --    1.12777   1.14381   1.15882   1.18357   1.18655
 Alpha virt. eigenvalues --    1.20494   1.22317   1.23764   1.24262   1.28912
 Alpha virt. eigenvalues --    1.29265   1.32580   1.34736   1.35285   1.37876
 Alpha virt. eigenvalues --    1.41227   1.43387   1.46178   1.50931   1.53647
 Alpha virt. eigenvalues --    1.57361   1.59502   1.61065   1.62896   1.65857
 Alpha virt. eigenvalues --    1.66444   1.71316   1.71900   1.73873   1.76478
 Alpha virt. eigenvalues --    1.79131   1.81375   1.83342   1.85892   1.86767
 Alpha virt. eigenvalues --    1.89777   1.90221   1.94701   1.95388   1.97161
 Alpha virt. eigenvalues --    1.98782   2.04694   2.06290   2.09585   2.10715
 Alpha virt. eigenvalues --    2.13396   2.15375   2.16502   2.17355   2.21213
 Alpha virt. eigenvalues --    2.22024   2.23968   2.26761   2.28743   2.31955
 Alpha virt. eigenvalues --    2.33752   2.35198   2.40176   2.41746   2.47909
 Alpha virt. eigenvalues --    2.52265   2.56484   2.58486   2.64523   2.66656
 Alpha virt. eigenvalues --    2.70875   2.75054   2.79028   2.84698   2.88512
 Alpha virt. eigenvalues --    3.01072   3.04102   3.06692   3.14278   3.31244
 Alpha virt. eigenvalues --    3.35762   3.43162   3.44677   3.47948   3.50551
 Alpha virt. eigenvalues --    3.53473   3.54914   3.63027   3.76199   3.84585
 Alpha virt. eigenvalues --    4.00655
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.200548   0.430589   0.313274  -0.054427  -0.268679   0.003441
     2  S    0.430589  15.328835  -0.117298   0.049833  -0.063997   0.009042
     3  C    0.313274  -0.117298   6.458463   0.390288  -1.135559  -0.041478
     4  N   -0.054427   0.049833   0.390288   6.223253  -0.145268   0.003786
     5  C   -0.268679  -0.063997  -1.135559  -0.145268   7.011507   0.629861
     6  O    0.003441   0.009042  -0.041478   0.003786   0.629861   7.683958
     7  O   -0.024494   0.001923   0.147805  -0.016084   0.051317  -0.066957
     8  H   -0.132384  -0.024103  -0.018919  -0.037356  -0.124535  -0.000181
     9  H    0.230120  -0.131035  -0.026544  -0.100687  -0.001832   0.008940
    10  H    0.113985  -0.222073   0.152426   0.006104  -0.050695  -0.026216
    11  H    0.020143  -0.002440  -0.155430   0.074382  -0.017168   0.009904
    12  H    0.031915  -0.009246   0.055747   0.226692  -0.043481   0.001777
    13  H   -0.121981  -0.013498  -0.112305   0.421388   0.067409   0.001970
    14  H    0.012847   0.277932  -0.098092   0.041933   0.004537  -0.000432
               7          8          9         10         11         12
     1  C   -0.024494  -0.132384   0.230120   0.113985   0.020143   0.031915
     2  S    0.001923  -0.024103  -0.131035  -0.222073  -0.002440  -0.009246
     3  C    0.147805  -0.018919  -0.026544   0.152426  -0.155430   0.055747
     4  N   -0.016084  -0.037356  -0.100687   0.006104   0.074382   0.226692
     5  C    0.051317  -0.124535  -0.001832  -0.050695  -0.017168  -0.043481
     6  O   -0.066957  -0.000181   0.008940  -0.026216   0.009904   0.001777
     7  O    7.875179   0.007035  -0.004752   0.006512   0.259950   0.009002
     8  H    0.007035   1.549792   0.095395  -0.049047  -0.005213  -0.094059
     9  H   -0.004752   0.095395   1.508299  -0.272734  -0.001449   0.000027
    10  H    0.006512  -0.049047  -0.272734   1.486975   0.002022  -0.003950
    11  H    0.259950  -0.005213  -0.001449   0.002022   0.655753   0.006540
    12  H    0.009002  -0.094059   0.000027  -0.003950   0.006540   0.960365
    13  H   -0.004922   0.038585  -0.004600  -0.001376  -0.009439  -0.192898
    14  H    0.000508  -0.020931  -0.073213   0.045141   0.001568   0.004979
              13         14
     1  C   -0.121981   0.012847
     2  S   -0.013498   0.277932
     3  C   -0.112305  -0.098092
     4  N    0.421388   0.041933
     5  C    0.067409   0.004537
     6  O    0.001970  -0.000432
     7  O   -0.004922   0.000508
     8  H    0.038585  -0.020931
     9  H   -0.004600  -0.073213
    10  H   -0.001376   0.045141
    11  H   -0.009439   0.001568
    12  H   -0.192898   0.004979
    13  H    0.912307  -0.009699
    14  H   -0.009699   0.913939
 Mulliken charges:
               1
     1  C    0.245104
     2  S    0.485537
     3  C    0.187622
     4  N   -0.083837
     5  C    0.086583
     6  O   -0.217416
     7  O   -0.242020
     8  H   -0.184078
     9  H   -0.225933
    10  H   -0.187073
    11  H    0.160878
    12  H    0.046589
    13  H    0.029061
    14  H   -0.101017
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.167902
     2  S    0.384520
     3  C    0.003545
     4  N   -0.008188
     5  C    0.086583
     6  O   -0.217416
     7  O   -0.081143
 Electronic spatial extent (au):  <R**2>=           1132.8811
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.6495    Y=              3.7983    Z=              0.6069  Tot=              4.6707
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.2050   YY=            -49.5247   ZZ=            -47.3104
   XY=             -2.0033   XZ=              1.5696   YZ=              1.4243
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.8583   YY=              3.8220   ZZ=              6.0363
   XY=             -2.0033   XZ=              1.5696   YZ=              1.4243
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              3.5133  YYY=             15.2180  ZZZ=              2.4759  XYY=              8.7834
  XXY=             18.7695  XXZ=              0.3257  XZZ=             -6.6834  YZZ=              2.8923
  YYZ=              0.9964  XYZ=              2.1608
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1172.2286 YYYY=           -306.9044 ZZZZ=            -79.5288 XXXY=             11.4886
 XXXZ=              3.3626 YYYX=             -9.6005 YYYZ=              3.1670 ZZZX=              3.3575
 ZZZY=              3.5331 XXYY=           -233.8766 XXZZ=           -199.3468 YYZZ=            -60.7002
 XXYZ=              8.0043 YYXZ=             -1.8030 ZZXY=              2.3491
 N-N= 3.742750386855D+02 E-N=-2.451424324659D+03  KE= 7.184073752742D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:23:29 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.00807511D+00 1.49224262D+00 2.23181640D-01
 Polarizability= 8.36422555D+01 1.23653984D+00 7.02428125D+01
                -1.54045702D+00 6.60536905D-01 5.22931836D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3376    0.3489        0.3375    0.3461
 2     -0.3376   -0.3489        0.3093    0.3049       -7.0892   -7.0899
 3     -0.3375   -0.3461       15.3847   15.3966       -0.3003   -0.3049
 4     -0.3093   -0.3049        0.0000    0.0000       -0.3157   -0.3461
 5     -8.2955   -8.3067        0.3157    0.3461        0.3483    0.3489
 6      0.3003    0.3049       -0.3483   -0.3489        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.0466   -1.0466        1.0384    1.0384
 2     -0.9148   -0.9148        0.0000    0.0000        1.0384    1.0384
 3     -0.9148   -0.9148       -1.0466   -1.0466        0.0000    0.0000
 4     -1.0466   -1.0466        0.9148    0.9148      -21.2696  -21.2696
 5     -1.0384   -1.0384       46.1897   46.1897       -0.9148   -0.9148
 6    -24.9201  -24.9201        1.0384    1.0384        1.0466    1.0466
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1390    0.0000       -1.6378   -1.3954       -1.6621   -1.3845
 2      1.5570    1.3954       -1.6492   -1.2198       27.6657   28.3595
 3      1.3358    1.3845      -61.9121  -61.5863        1.2961    1.2198
 4      0.9943    1.2198        0.1785    0.0000        1.6152    1.3845
 5     33.9429   33.2268       -1.5711   -1.3845       -1.8380   -1.3954
 6     -1.7489   -1.2198        1.7432    1.3954        0.0205    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1421    0.0000       -4.5181   -4.5489        0.2443    0.5321
 2      4.4065    4.5489       18.1561   18.7700       -2.0277   -2.2953
 3     -0.4654   -0.5321       12.0042   10.8442      -17.6496  -18.7700
 4    -17.6584  -18.7700       -0.3585    0.0000       -1.1257   -0.5321
 5     -9.0581   -8.5489        0.2703    0.5321       -5.9043   -4.5489
 6     17.4380   18.7700        4.8737    4.5489        0.9561    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -19.5749  -19.4320        5.6217    5.3009       -1.6612   -1.8031
 2    -47.6845  -49.2366        1.0270    1.5472       -2.9833   -1.8031
 3    -47.7040  -49.2366        5.0773    5.3009       -3.8081   -2.8967
 4      3.3751    3.7537       29.5575   29.8046        1.5312    1.4822
 5     -1.4476   -1.0936       13.3448   13.0673      -28.7371  -29.8046
 6    -15.7015  -14.5495        0.6929    1.0936       -5.7774   -3.7537
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.2556   -1.2026    0.0017    0.0025    0.0027    3.2043
 Low frequencies ---   70.6550   93.3205  178.9969
 Diagonal vibrational polarizability:
       27.0245173      36.2817680      21.9730227
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.6522                93.3204               178.9969
 Red. masses --      5.0198                 3.2598                 4.7319
 Frc consts  --      0.0148                 0.0167                 0.0893
 IR Inten    --      1.9555                 6.3296                 9.4754
 RamAct Fr= 1--      0.3743                 0.3544                 0.5886
  Dep-P Fr= 1--      0.7418                 0.6320                 0.6905
  Dep-U Fr= 1--      0.8518                 0.7745                 0.8169
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0006
 Beta2  Fr= 1--      0.0531                 0.0457                 0.0801
 AlphaG Fr= 1--      0.0009                -0.0036                -0.0005
 Gamma2 Fr= 1--      0.2378                 0.5992                -0.7890
 Delta2 Fr= 1--      0.2082                 0.2033                -0.1900
 Raman1 Fr= 1--       1.497                  1.418                  2.354
 ROA1   Fr= 1--      29.492                 64.034                -81.825
 CID1   Fr= 1--      19.699                 45.172                -34.754
 Raman2 Fr= 1--       0.638                  0.549                  0.962
 ROA2   Fr= 1--       4.042                 12.755                -17.417
 CID2   Fr= 1--       6.339                 23.235                -18.111
 Raman3 Fr= 1--       1.275                  1.098                  1.923
 ROA3   Fr= 1--      29.492                 64.034                -81.825
 CID3   Fr= 1--      23.127                 58.322                -42.545
 RC180  Fr= 1--       0.704                  0.549                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.08   0.07    -0.01  -0.15  -0.20    -0.08   0.05  -0.23
     2  16    -0.00  -0.03   0.08     0.00   0.12   0.08     0.03  -0.13   0.08
     3   6    -0.01  -0.01  -0.08    -0.01  -0.08  -0.11    -0.04   0.18  -0.14
     4   7    -0.01   0.03  -0.23     0.09  -0.09  -0.09    -0.11   0.15  -0.03
     5   6     0.00  -0.01  -0.02    -0.03  -0.00   0.01     0.04   0.04  -0.01
     6   8    -0.01  -0.02  -0.26    -0.09   0.01   0.08     0.22   0.02   0.12
     7   8     0.05  -0.02   0.35     0.04   0.06   0.08    -0.08  -0.10   0.07
     8   1     0.02  -0.15  -0.07    -0.10  -0.07  -0.12    -0.10   0.27  -0.16
     9   1    -0.07   0.24   0.06    -0.11  -0.41  -0.20    -0.20  -0.14  -0.23
    10   1    -0.04   0.04   0.22     0.11  -0.10  -0.44    -0.16   0.11  -0.40
    11   1     0.05  -0.02   0.33     0.08   0.03   0.01    -0.23  -0.03  -0.01
    12   1    -0.19   0.03  -0.46     0.17  -0.15  -0.05    -0.08   0.21   0.07
    13   1     0.23   0.16  -0.30     0.07  -0.13  -0.08    -0.17   0.07   0.00
    14   1    -0.05   0.13  -0.19    -0.11  -0.12   0.52     0.14  -0.26   0.30
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.6284               266.1813               327.3874
 Red. masses --      1.1447                 8.9496                 1.2096
 Frc consts  --      0.0331                 0.3736                 0.0764
 IR Inten    --     25.2567                 5.4161                11.4018
 RamAct Fr= 1--      0.5543                 3.8869                 0.2786
  Dep-P Fr= 1--      0.6811                 0.2024                 0.4868
  Dep-U Fr= 1--      0.8103                 0.3367                 0.6548
 Alpha2 Fr= 1--      0.0007                 0.0524                 0.0015
 Beta2  Fr= 1--      0.0749                 0.2181                 0.0304
 AlphaG Fr= 1--      0.0033                -0.0012                -0.0001
 Gamma2 Fr= 1--     -0.0305                 0.3108                 0.1162
 Delta2 Fr= 1--     -0.2473                 0.0649                 0.0884
 Raman1 Fr= 1--       2.217                 15.548                  1.115
 ROA1   Fr= 1--     -10.847                 31.915                 13.985
 CID1   Fr= 1--      -4.892                  2.053                 12.548
 Raman2 Fr= 1--       0.898                  2.618                  0.365
 ROA2   Fr= 1--       1.246                  6.940                  2.082
 CID2   Fr= 1--       1.387                  2.651                  5.705
 Raman3 Fr= 1--       1.797                  5.235                  0.730
 ROA3   Fr= 1--     -10.847                 31.915                 13.985
 CID3   Fr= 1--      -6.037                  6.096                 19.163
 RC180  Fr= 1--       0.621                 -0.327                  0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.06     0.16   0.12  -0.10     0.00  -0.01  -0.02
     2  16    -0.00   0.01  -0.04     0.36  -0.05   0.03     0.01   0.00   0.00
     3   6    -0.00  -0.00   0.03    -0.07  -0.02  -0.02    -0.01   0.02   0.05
     4   7    -0.01   0.02  -0.04    -0.30  -0.02   0.02     0.05   0.03   0.03
     5   6    -0.00  -0.00   0.01    -0.15  -0.04   0.02    -0.02  -0.00   0.03
     6   8    -0.00  -0.01  -0.03    -0.34  -0.01   0.01    -0.00  -0.01  -0.00
     7   8    -0.01  -0.01   0.01    -0.07   0.06   0.00    -0.05  -0.02  -0.05
     8   1     0.01  -0.04   0.04    -0.16   0.04  -0.04    -0.07   0.00   0.04
     9   1     0.07   0.09   0.06     0.20   0.13  -0.10     0.02  -0.09  -0.01
    10   1    -0.02   0.01   0.12     0.20   0.09  -0.05    -0.01   0.01  -0.08
    11   1    -0.02  -0.00  -0.03     0.05   0.01   0.04    -0.02  -0.02   0.18
    12   1     0.10  -0.06   0.01    -0.44   0.14   0.00    -0.42   0.12  -0.46
    13   1    -0.09   0.05  -0.02    -0.25  -0.02   0.01     0.70   0.11  -0.13
    14   1     0.40  -0.46   0.75     0.37   0.03  -0.10     0.04  -0.07   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    355.1031               412.6224               520.8332
 Red. masses --      3.1374                 2.3838                 6.0679
 Frc consts  --      0.2331                 0.2391                 0.9698
 IR Inten    --     21.2180                 3.2445                 0.9738
 RamAct Fr= 1--      2.3091                 0.3856                 2.7177
  Dep-P Fr= 1--      0.1482                 0.7473                 0.7462
  Dep-U Fr= 1--      0.2581                 0.8554                 0.8547
 Alpha2 Fr= 1--      0.0359                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0993                 0.0550                 0.3871
 AlphaG Fr= 1--      0.0115                 0.0000                -0.0037
 Gamma2 Fr= 1--     -0.1285                -0.3831                 0.9518
 Delta2 Fr= 1--     -0.1445                -0.1461                 0.4006
 Raman1 Fr= 1--       9.236                  1.542                 10.871
 ROA1   Fr= 1--     -16.961                -41.456                104.195
 CID1   Fr= 1--      -1.836                -26.880                  9.585
 Raman2 Fr= 1--       1.192                  0.660                  4.645
 ROA2   Fr= 1--      -1.928                 -8.026                 19.640
 CID2   Fr= 1--      -1.618                -12.168                  4.228
 Raman3 Fr= 1--       2.384                  1.319                  9.291
 ROA3   Fr= 1--     -16.961                -41.456                104.195
 CID3   Fr= 1--      -7.116                -31.425                 11.215
 RC180  Fr= 1--      -0.484                  0.711                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.01     0.05  -0.15   0.01     0.02  -0.16   0.10
     2  16    -0.07  -0.01  -0.00    -0.01  -0.01  -0.01     0.06   0.02  -0.02
     3   6     0.03  -0.03  -0.09     0.02   0.00   0.19    -0.03  -0.16  -0.06
     4   7    -0.19  -0.05   0.08    -0.14   0.08  -0.10    -0.15  -0.26   0.00
     5   6     0.07  -0.04  -0.06     0.03   0.02   0.09    -0.04   0.21  -0.06
     6   8     0.01  -0.03   0.06     0.04   0.01  -0.06     0.28   0.18  -0.01
     7   8     0.25   0.10  -0.02     0.05   0.04  -0.02    -0.19   0.13   0.03
     8   1     0.10   0.06  -0.08    -0.00  -0.08   0.19     0.06  -0.24  -0.04
     9   1    -0.08   0.11  -0.01     0.10  -0.57   0.02     0.06   0.07   0.10
    10   1    -0.06   0.02   0.07     0.01  -0.03  -0.39     0.10  -0.22   0.29
    11   1     0.51   0.00   0.10     0.09   0.02  -0.10    -0.20   0.14   0.14
    12   1    -0.60   0.24  -0.14    -0.13   0.03  -0.14    -0.45  -0.01  -0.10
    13   1     0.16  -0.10   0.00    -0.34   0.39  -0.09     0.05  -0.32  -0.04
    14   1     0.05  -0.13   0.21    -0.15   0.02  -0.05    -0.04  -0.02   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    596.0764               696.8288               738.9866
 Red. masses --      3.6751                 6.4385                 1.5778
 Frc consts  --      0.7693                 1.8420                 0.5077
 IR Inten    --     10.6838                10.8593                 9.0057
 RamAct Fr= 1--      1.2055                14.5165                 0.5926
  Dep-P Fr= 1--      0.2572                 0.1412                 0.7362
  Dep-U Fr= 1--      0.4091                 0.2475                 0.8481
 Alpha2 Fr= 1--      0.0140                 0.2295                 0.0001
 Beta2  Fr= 1--      0.0822                 0.5987                 0.0838
 AlphaG Fr= 1--      0.0146                 0.0790                -0.0027
 Gamma2 Fr= 1--      0.4693                -0.5039                 0.5916
 Delta2 Fr= 1--      0.2582                -0.6235                -0.0798
 Raman1 Fr= 1--       4.822                 58.066                  2.370
 ROA1   Fr= 1--      53.315                -68.327                 54.240
 CID1   Fr= 1--      11.057                 -1.177                 22.882
 Raman2 Fr= 1--       0.986                  7.184                  1.005
 ROA2   Fr= 1--       9.198                 -7.105                 14.836
 CID2   Fr= 1--       9.325                 -0.989                 14.760
 Raman3 Fr= 1--       1.973                 14.369                  2.010
 ROA3   Fr= 1--      53.315                -68.327                 54.240
 CID3   Fr= 1--      27.026                 -4.755                 26.980
 RC180  Fr= 1--      -0.182                 -0.505                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.13  -0.11     0.32   0.19  -0.15     0.07   0.10   0.04
     2  16     0.02  -0.01   0.02    -0.16  -0.04   0.05    -0.04  -0.01   0.01
     3   6    -0.21  -0.05   0.06     0.15  -0.04  -0.03    -0.01  -0.01   0.02
     4   7     0.02  -0.06  -0.01    -0.04  -0.16  -0.02     0.01  -0.03  -0.01
     5   6    -0.06  -0.03   0.24     0.19   0.09   0.26    -0.07  -0.02  -0.11
     6   8     0.14  -0.09  -0.10    -0.10   0.16  -0.07     0.03  -0.04   0.03
     7   8     0.05   0.14  -0.07    -0.04  -0.12  -0.06    -0.03   0.06   0.03
     8   1    -0.60  -0.11   0.01    -0.19  -0.12  -0.08     0.15  -0.04   0.05
     9   1    -0.04   0.23  -0.11     0.20   0.13  -0.15    -0.08  -0.42   0.04
    10   1    -0.01   0.09   0.03     0.38   0.16  -0.10     0.32   0.20  -0.42
    11   1     0.30   0.03  -0.00    -0.33   0.01   0.09     0.07   0.01   0.01
    12   1     0.29  -0.33   0.05    -0.22   0.11   0.03     0.07  -0.11  -0.01
    13   1     0.05  -0.14  -0.00    -0.12  -0.19  -0.00     0.07  -0.05  -0.02
    14   1     0.11   0.04  -0.07     0.19  -0.03  -0.01     0.59   0.08  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    786.2754               838.7083               860.6221
 Red. masses --      2.8062                 1.2934                 1.7376
 Frc consts  --      1.0222                 0.5360                 0.7583
 IR Inten    --      1.0052               125.3862                65.4822
 RamAct Fr= 1--      1.9776                 1.4891                10.2050
  Dep-P Fr= 1--      0.7198                 0.5763                 0.1947
  Dep-U Fr= 1--      0.8371                 0.7312                 0.3260
 Alpha2 Fr= 1--      0.0010                 0.0049                 0.1405
 Beta2  Fr= 1--      0.2759                 0.1815                 0.5545
 AlphaG Fr= 1--     -0.0025                 0.0254                -0.0883
 Gamma2 Fr= 1--      0.5171                -0.8914                -0.2862
 Delta2 Fr= 1--      0.5483                -0.1658                -0.1825
 Raman1 Fr= 1--       7.910                  5.956                 40.820
 ROA1   Fr= 1--      67.188                -90.876                -33.314
 CID1   Fr= 1--       8.494                -15.257                 -0.816
 Raman2 Fr= 1--       3.311                  2.178                  6.654
 ROA2   Fr= 1--       8.024                -20.066                 -5.408
 CID2   Fr= 1--       2.424                 -9.215                 -0.813
 Raman3 Fr= 1--       6.622                  4.355                 13.308
 ROA3   Fr= 1--      67.188                -90.876                -33.314
 CID3   Fr= 1--      10.147                -20.867                 -2.503
 RC180  Fr= 1--       0.674                  0.462                 -0.348
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.02  -0.08     0.06  -0.04   0.01    -0.08  -0.00   0.05
     2  16    -0.05  -0.02   0.02    -0.01  -0.00   0.00     0.01   0.01  -0.01
     3   6     0.06   0.01  -0.01    -0.01  -0.03  -0.03     0.11   0.05  -0.07
     4   7     0.05   0.05   0.01    -0.06   0.10  -0.02     0.08  -0.05  -0.03
     5   6    -0.14  -0.07  -0.05     0.00   0.00  -0.02    -0.03  -0.03   0.12
     6   8     0.05  -0.12   0.01     0.00   0.00   0.02     0.00  -0.05  -0.02
     7   8    -0.09   0.13   0.03    -0.00  -0.00  -0.04    -0.05   0.04  -0.04
     8   1     0.05   0.12  -0.01    -0.03  -0.05  -0.03     0.09  -0.03  -0.06
     9   1     0.38   0.32  -0.08     0.08  -0.00   0.01    -0.23  -0.12   0.04
    10   1     0.09  -0.11   0.29     0.07  -0.05   0.06    -0.08   0.05  -0.12
    11   1     0.17   0.01  -0.13     0.08   0.00   0.85     0.16  -0.03   0.54
    12   1    -0.15   0.25  -0.02     0.33  -0.18   0.16    -0.26   0.45   0.09
    13   1    -0.21   0.24   0.04     0.16  -0.18  -0.02    -0.45   0.07   0.06
    14   1    -0.46  -0.09   0.18    -0.07   0.00   0.00     0.15   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    887.7760               957.1437              1053.2165
 Red. masses --      2.3326                 1.4011                 2.0106
 Frc consts  --      1.0832                 0.7563                 1.3141
 IR Inten    --     41.7592                46.4077                28.7162
 RamAct Fr= 1--      6.9160                 3.8518                 1.5444
  Dep-P Fr= 1--      0.1049                 0.3386                 0.4285
  Dep-U Fr= 1--      0.1898                 0.5059                 0.6000
 Alpha2 Fr= 1--      0.1197                 0.0351                 0.0103
 Beta2  Fr= 1--      0.2188                 0.3248                 0.1544
 AlphaG Fr= 1--      0.0722                 0.0746                -0.0194
 Gamma2 Fr= 1--     -0.5297                -0.7286                 1.1095
 Delta2 Fr= 1--     -0.1141                 0.1461                 0.1528
 Raman1 Fr= 1--      27.664                 15.407                  6.178
 ROA1   Fr= 1--     -54.499                -65.267                111.405
 CID1   Fr= 1--      -1.970                 -4.236                 18.034
 Raman2 Fr= 1--       2.625                  3.898                  1.853
 ROA2   Fr= 1--     -11.799                -18.655                 25.407
 CID2   Fr= 1--      -4.494                 -4.786                 13.710
 Raman3 Fr= 1--       5.251                  7.795                  3.706
 ROA3   Fr= 1--     -54.499                -65.267                111.405
 CID3   Fr= 1--     -10.379                 -8.373                 30.058
 RC180  Fr= 1--      -0.620                  0.012                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10  -0.09     0.02  -0.11  -0.03    -0.09  -0.04  -0.13
     2  16     0.01  -0.01   0.00    -0.02   0.01   0.02    -0.01   0.02   0.02
     3   6    -0.06   0.02   0.17    -0.09  -0.03  -0.01     0.19  -0.02   0.08
     4   7     0.06  -0.15  -0.03     0.05   0.04   0.02    -0.07  -0.02   0.00
     5   6     0.01   0.02  -0.16     0.00   0.02  -0.03     0.04  -0.03   0.01
     6   8    -0.00   0.05   0.04     0.00   0.03   0.00    -0.00  -0.04  -0.00
     7   8     0.04  -0.04  -0.00     0.04  -0.03  -0.01    -0.06   0.06   0.01
     8   1    -0.02   0.09   0.17    -0.26   0.12  -0.04     0.31   0.21   0.08
     9   1     0.18   0.12  -0.07    -0.05   0.19  -0.04    -0.03   0.34  -0.14
    10   1    -0.19   0.11  -0.04     0.33  -0.24   0.26    -0.25  -0.11   0.17
    11   1     0.05  -0.02   0.57     0.02  -0.02   0.08    -0.05   0.05   0.05
    12   1    -0.11  -0.12  -0.17    -0.14   0.16  -0.07     0.17  -0.39  -0.08
    13   1    -0.39   0.36  -0.01    -0.26   0.31   0.04     0.15   0.19  -0.06
    14   1    -0.27  -0.04   0.09     0.59   0.10  -0.19     0.48   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1129.3687              1143.3226              1208.9876
 Red. masses --      2.6574                 1.3129                 2.2483
 Frc consts  --      1.9970                 1.0112                 1.9362
 IR Inten    --      5.0325                24.7985                18.7424
 RamAct Fr= 1--      1.4355                 3.9921                 3.1184
  Dep-P Fr= 1--      0.7408                 0.7471                 0.3456
  Dep-U Fr= 1--      0.8511                 0.8552                 0.5137
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0278
 Beta2  Fr= 1--      0.2036                 0.5690                 0.2670
 AlphaG Fr= 1--      0.0004                 0.0004                 0.0093
 Gamma2 Fr= 1--      0.4137                 1.4348                -0.5277
 Delta2 Fr= 1--     -0.2566                 1.0137                -0.0396
 Raman1 Fr= 1--       5.742                 15.968                 12.474
 ROA1   Fr= 1--      31.504                170.182                -51.930
 CID1   Fr= 1--       5.487                 10.657                 -4.163
 Raman2 Fr= 1--       2.443                  6.828                  3.204
 ROA2   Fr= 1--      11.981                 26.326                -12.348
 CID2   Fr= 1--       4.903                  3.856                 -3.855
 Raman3 Fr= 1--       4.887                 13.656                  6.407
 ROA3   Fr= 1--      31.504                170.182                -51.930
 CID3   Fr= 1--       6.447                 12.462                 -8.105
 RC180  Fr= 1--       0.702                  0.710                  0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.09   0.10     0.00  -0.06  -0.03    -0.01  -0.00  -0.00
     2  16    -0.00   0.00  -0.00    -0.01   0.01   0.02     0.00   0.00  -0.00
     3   6    -0.06   0.28  -0.05    -0.02   0.11   0.04    -0.03   0.00   0.06
     4   7    -0.03  -0.14  -0.03     0.01  -0.03  -0.05     0.01   0.02  -0.02
     5   6     0.06  -0.03   0.03    -0.05   0.01  -0.01     0.24  -0.08  -0.09
     6   8    -0.02  -0.05  -0.00     0.00   0.00   0.00    -0.03  -0.08   0.02
     7   8    -0.00   0.04  -0.01     0.03  -0.02  -0.00    -0.06   0.12   0.02
     8   1    -0.18   0.73  -0.09     0.03  -0.22   0.06    -0.49  -0.34   0.00
     9   1    -0.10  -0.06   0.09     0.58   0.01   0.02    -0.09  -0.00  -0.01
    10   1     0.05  -0.08   0.07    -0.39  -0.03   0.04    -0.05   0.00   0.01
    11   1    -0.08   0.06   0.05     0.07  -0.04  -0.04    -0.53   0.30   0.07
    12   1     0.08  -0.43  -0.17    -0.05   0.26   0.15    -0.12   0.28   0.08
    13   1     0.06   0.03  -0.08     0.07  -0.46  -0.01    -0.03  -0.23   0.02
    14   1    -0.01   0.01  -0.01     0.31   0.07  -0.12     0.02   0.00  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1236.3112              1279.3123              1329.0466
 Red. masses --      1.4469                 1.3165                 1.3276
 Frc consts  --      1.3030                 1.2695                 1.3816
 IR Inten    --      5.9660                 0.4208                 5.7586
 RamAct Fr= 1--      3.8765                 1.8715                 4.2708
  Dep-P Fr= 1--      0.4256                 0.7292                 0.5191
  Dep-U Fr= 1--      0.5971                 0.8434                 0.6834
 Alpha2 Fr= 1--      0.0261                 0.0007                 0.0192
 Beta2  Fr= 1--      0.3858                 0.2631                 0.4865
 AlphaG Fr= 1--      0.0392                -0.0046                -0.0378
 Gamma2 Fr= 1--      0.1356                -1.9338                 0.0110
 Delta2 Fr= 1--     -0.8384                -0.0604                 0.0948
 Raman1 Fr= 1--      15.506                  7.486                 17.083
 ROA1   Fr= 1--     -13.815               -187.578                  4.090
 CID1   Fr= 1--      -0.891                -25.057                  0.239
 Raman2 Fr= 1--       4.629                  3.157                  5.837
 ROA2   Fr= 1--       9.960                -45.929                 -0.495
 CID2   Fr= 1--       2.152                -14.549                 -0.085
 Raman3 Fr= 1--       9.259                  6.314                 11.675
 ROA3   Fr= 1--     -13.815               -187.578                  4.090
 CID3   Fr= 1--      -1.492                -29.710                  0.350
 RC180  Fr= 1--       0.194                  0.687                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.00    -0.09  -0.00  -0.04     0.10  -0.02  -0.04
     2  16     0.00  -0.00   0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   6    -0.11  -0.02  -0.09     0.03   0.08   0.08    -0.11   0.02   0.04
     4   7     0.02   0.00   0.03    -0.01  -0.02  -0.05     0.01   0.00  -0.02
     5   6     0.09  -0.02   0.05    -0.02  -0.00   0.00     0.00   0.01   0.03
     6   8    -0.01  -0.02  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.01   0.03  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62  -0.01   0.02     0.18  -0.02   0.12     0.64  -0.11   0.16
     9   1     0.63  -0.08   0.05    -0.04   0.12  -0.04    -0.61   0.10  -0.10
    10   1     0.17   0.00  -0.06     0.85  -0.15   0.11    -0.23  -0.03   0.11
    11   1    -0.22   0.12   0.06     0.00  -0.00  -0.01    -0.14   0.07   0.03
    12   1    -0.03  -0.10  -0.11    -0.01   0.15   0.10    -0.04   0.11   0.03
    13   1    -0.09   0.21   0.02     0.08  -0.29  -0.03    -0.01  -0.15   0.01
    14   1    -0.00   0.00  -0.00    -0.16  -0.04   0.06     0.03   0.00  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1400.4381              1404.0352              1468.2333
 Red. masses --      1.2947                 1.6000                 1.0889
 Frc consts  --      1.4960                 1.8584                 1.3830
 IR Inten    --     95.4773               361.7859                 6.2233
 RamAct Fr= 1--      5.0315                 4.2457                 4.6614
  Dep-P Fr= 1--      0.7380                 0.1093                 0.7300
  Dep-U Fr= 1--      0.8493                 0.1971                 0.8439
 Alpha2 Fr= 1--      0.0010                 0.0727                 0.0016
 Beta2  Fr= 1--      0.7122                 0.1395                 0.6556
 AlphaG Fr= 1--     -0.0013                -0.0740                 0.0035
 Gamma2 Fr= 1--      1.5081                -0.0098                 0.3115
 Delta2 Fr= 1--     -0.8564                 0.0120                -0.6459
 Raman1 Fr= 1--      20.126                 16.983                 18.645
 ROA1   Fr= 1--     117.369                 -0.555                  9.235
 CID1   Fr= 1--       5.832                 -0.033                  0.495
 Raman2 Fr= 1--       8.546                  1.674                  7.868
 ROA2   Fr= 1--      43.045                 -0.331                 12.644
 CID2   Fr= 1--       5.037                 -0.197                  1.607
 Raman3 Fr= 1--      17.093                  3.347                 15.735
 ROA3   Fr= 1--     117.369                 -0.555                  9.235
 CID3   Fr= 1--       6.867                 -0.166                  0.587
 RC180  Fr= 1--       0.699                 -0.606                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.06  -0.05
     2  16     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.11   0.03    -0.06  -0.06   0.03     0.02   0.02  -0.01
     4   7     0.01   0.01  -0.05     0.02   0.02  -0.04    -0.00  -0.00   0.01
     5   6    -0.05   0.02   0.01     0.14  -0.05  -0.01    -0.01   0.00  -0.00
     6   8     0.01  -0.02  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
     7   8     0.05   0.00  -0.01    -0.11   0.01   0.01     0.00  -0.00  -0.00
     8   1    -0.01   0.76  -0.01     0.10   0.46   0.04    -0.02  -0.10  -0.01
     9   1     0.09  -0.13   0.02     0.02  -0.10   0.01    -0.02  -0.69  -0.01
    10   1    -0.08   0.02   0.04    -0.05  -0.00   0.07    -0.04  -0.17   0.69
    11   1    -0.44   0.22   0.05     0.70  -0.35  -0.10    -0.01   0.01   0.00
    12   1    -0.05   0.26   0.12    -0.02   0.16   0.06     0.01  -0.06  -0.03
    13   1     0.05  -0.20  -0.03     0.02  -0.24  -0.00    -0.02   0.04   0.00
    14   1     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1660.9807              1837.5331              2668.7949
 Red. masses --      1.0918                 9.9012                 1.0385
 Frc consts  --      1.7748                19.6974                 4.3579
 IR Inten    --     28.2652               302.8040                 5.5651
 RamAct Fr= 1--      2.5678                11.1418               118.5015
  Dep-P Fr= 1--      0.7063                 0.3880                 0.1920
  Dep-U Fr= 1--      0.8279                 0.5591                 0.3221
 Alpha2 Fr= 1--      0.0019                 0.0861                 1.6436
 Beta2  Fr= 1--      0.3543                 1.0382                 6.3625
 AlphaG Fr= 1--      0.0024                 0.0993                -1.1916
 Gamma2 Fr= 1--      0.0013                 0.3207                -4.8219
 Delta2 Fr= 1--     -0.0821                 0.7523                 0.0474
 Raman1 Fr= 1--      10.271                 44.567                474.006
 ROA1   Fr= 1--      -2.499                 54.862               -461.380
 CID1   Fr= 1--      -0.243                  1.231                 -0.973
 Raman2 Fr= 1--       4.252                 12.459                 76.350
 ROA2   Fr= 1--       0.689                  1.679               -116.104
 CID2   Fr= 1--       0.162                  0.135                 -1.521
 Raman3 Fr= 1--       8.503                 24.918                152.699
 ROA3   Fr= 1--      -2.499                 54.862               -461.380
 CID3   Fr= 1--      -0.294                  2.202                 -3.021
 RC180  Fr= 1--       0.656                  0.118                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.03  -0.02
     3   6    -0.03   0.01  -0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.14   0.71  -0.03     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.09  -0.44   0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00   0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00  -0.01
    10   1    -0.01  -0.00   0.01     0.05   0.01   0.00    -0.00  -0.02  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.18  -0.07    -0.00   0.00  -0.00
    12   1     0.18   0.34   0.58     0.01  -0.03   0.00    -0.00   0.00   0.00
    13   1     0.40   0.56  -0.17    -0.01   0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.02   0.00   0.00     0.05   0.87   0.50
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3048.2506              3064.9254              3130.0591
 Red. masses --      1.0798                 1.0684                 1.0992
 Frc consts  --      5.9113                 5.9131                 6.3450
 IR Inten    --      3.8345                10.1433                 2.0962
 RamAct Fr= 1--    129.4153                35.3626                48.2774
  Dep-P Fr= 1--      0.1362                 0.0612                 0.4678
  Dep-U Fr= 1--      0.2398                 0.1154                 0.6374
 Alpha2 Fr= 1--      2.0713                 0.6800                 0.2750
 Beta2  Fr= 1--      5.1724                 0.6802                 5.1288
 AlphaG Fr= 1--     -1.2013                -0.0162                -0.1748
 Gamma2 Fr= 1--      3.0357                -2.1745                -3.3928
 Delta2 Fr= 1--      3.8001                -3.9945                -2.6986
 Raman1 Fr= 1--     517.661                141.451                193.110
 ROA1   Fr= 1--     413.035               -336.575               -412.058
 CID1   Fr= 1--       0.798                 -2.379                 -2.134
 Raman2 Fr= 1--      62.069                  8.162                 61.545
 ROA2   Fr= 1--      42.456                -20.232                -59.838
 CID2   Fr= 1--       0.684                 -2.479                 -0.972
 Raman3 Fr= 1--     124.137                 16.325                123.091
 ROA3   Fr= 1--     413.035               -336.575               -412.058
 CID3   Fr= 1--       3.327                -20.618                 -3.348
 RC180  Fr= 1--      -0.520                 -0.769                  0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.03     0.01   0.03  -0.06    -0.01  -0.07  -0.05
     2  16    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.13   0.04   0.88    -0.06   0.02   0.43    -0.01   0.00   0.07
     9   1     0.04  -0.02  -0.43    -0.06   0.04   0.80    -0.03   0.00   0.38
    10   1     0.01   0.11   0.04    -0.04  -0.36  -0.12     0.11   0.87   0.25
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.02    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3476.7495              3494.3801              3582.3460
 Red. masses --      1.0624                 1.0532                 1.0918
 Frc consts  --      7.5662                 7.5773                 8.2554
 IR Inten    --    208.7248                15.7905                 9.4150
 RamAct Fr= 1--     88.1371                43.8560                38.3815
  Dep-P Fr= 1--      0.0477                 0.1384                 0.5393
  Dep-U Fr= 1--      0.0910                 0.2431                 0.7007
 Alpha2 Fr= 1--      1.7507                 0.6982                 0.1556
 Beta2  Fr= 1--      1.3363                 1.7769                 4.4825
 AlphaG Fr= 1--      0.2508                 0.1354                -0.0471
 Gamma2 Fr= 1--      1.6985                -2.3625                 0.0331
 Delta2 Fr= 1--      1.8059                -1.5388                -0.5405
 Raman1 Fr= 1--     352.549                175.424                153.526
 ROA1   Fr= 1--     220.844               -276.044                -14.116
 CID1   Fr= 1--       0.626                 -1.574                 -0.092
 Raman2 Fr= 1--      16.035                 21.323                 53.790
 ROA2   Fr= 1--      26.317                -44.389                  5.120
 CID2   Fr= 1--       1.641                 -2.082                  0.095
 Raman3 Fr= 1--      32.070                 42.646                107.581
 ROA3   Fr= 1--     220.844               -276.044                -14.116
 CID3   Fr= 1--       6.886                 -6.473                 -0.131
 RC180  Fr= 1--      -0.818                 -0.514                  0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2  16    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   7    -0.01  -0.01  -0.01    -0.03  -0.03  -0.04    -0.03  -0.03   0.07
     5   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.02  -0.05   0.00     0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1     0.36   0.86  -0.04    -0.14  -0.32   0.01    -0.01  -0.03   0.00
    12   1     0.13   0.11  -0.12     0.28   0.24  -0.27     0.57   0.45  -0.47
    13   1     0.05   0.04   0.28     0.15   0.10   0.79    -0.12  -0.07  -0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   401.395371542.154011879.83941
           X            0.99998  -0.00339   0.00585
           Y            0.00338   0.99999   0.00169
           Z           -0.00585  -0.00167   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21578     0.05616     0.04608
 Rotational constants (GHZ):           4.49617     1.17027     0.96005
 Zero-point vibrational energy     283667.1 (Joules/Mol)
                                   67.79806 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.65   134.27   257.54   318.87   382.98
          (Kelvin)            471.04   510.91   593.67   749.36   857.62
                             1002.58  1063.24  1131.27  1206.71  1238.24
                             1277.31  1377.12  1515.34  1624.91  1644.99
                             1739.46  1778.78  1840.65  1912.20  2014.92
                             2020.09  2112.46  2389.78  2643.80  3839.80
                             4385.75  4409.74  4503.46  5002.27  5027.63
                             5154.20
 
 Zero-point correction=                           0.108043 (Hartree/Particle)
 Thermal correction to Energy=                    0.116088
 Thermal correction to Enthalpy=                  0.117032
 Thermal correction to Gibbs Free Energy=         0.074926
 Sum of electronic and zero-point Energies=           -722.017911
 Sum of electronic and thermal Energies=              -722.009867
 Sum of electronic and thermal Enthalpies=            -722.008922
 Sum of electronic and thermal Free Energies=         -722.051029
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.846             28.378             88.620
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.544
 Vibrational             71.069             22.417             19.789
 Vibration     1          0.598              1.968              4.135
 Vibration     2          0.602              1.954              3.589
 Vibration     3          0.629              1.868              2.339
 Vibration     4          0.648              1.808              1.946
 Vibration     5          0.672              1.735              1.621
 Vibration     6          0.711              1.621              1.273
 Vibration     7          0.731              1.565              1.143
 Vibration     8          0.776              1.443              0.917
 Vibration     9          0.876              1.204              0.608
 Vibration    10          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.343990D-34        -34.463454        -79.355035
 Total V=0       0.170952D+16         15.232873         35.074987
 Vib (Bot)       0.170236D-47        -47.768948       -109.992068
 Vib (Bot)    1  0.291886D+01          0.465214          1.071195
 Vib (Bot)    2  0.220192D+01          0.342801          0.789329
 Vib (Bot)    3  0.112248D+01          0.050177          0.115538
 Vib (Bot)    4  0.891890D+00         -0.049689         -0.114413
 Vib (Bot)    5  0.727456D+00         -0.138193         -0.318201
 Vib (Bot)    6  0.571632D+00         -0.242883         -0.559259
 Vib (Bot)    7  0.517836D+00         -0.285808         -0.658096
 Vib (Bot)    8  0.427932D+00         -0.368626         -0.848792
 Vib (Bot)    9  0.309677D+00         -0.509091         -1.172225
 Vib (Bot)   10  0.251514D+00         -0.599437         -1.380256
 Vib (V=0)       0.846017D+02          1.927379          4.437954
 Vib (V=0)    1  0.346138D+01          0.539249          1.241667
 Vib (V=0)    2  0.275797D+01          0.440590          1.014496
 Vib (V=0)    3  0.172880D+01          0.237745          0.547429
 Vib (V=0)    4  0.152248D+01          0.182552          0.420341
 Vib (V=0)    5  0.138272D+01          0.140734          0.324052
 Vib (V=0)    6  0.125945D+01          0.100181          0.230675
 Vib (V=0)    7  0.121983D+01          0.086299          0.198711
 Vib (V=0)    8  0.115812D+01          0.063755          0.146800
 Vib (V=0)    9  0.108813D+01          0.036682          0.084463
 Vib (V=0)   10  0.105970D+01          0.025181          0.057982
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.386150D+06          5.586756         12.863981
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33            333             2                            1      1     1 11 1 1 1111  1                                     
     5  44            100             6                            8      6     4 44 3 2 2211  0   9 888 77 6  5  5   4 33 2 21      
     8  97            364             6                            3      6     6 00 2 7 3042  5   5 863 83 9  9  2   1 52 6 27  97  
     2  47            058             9                            8      1     8 40 9 9 6939  3   7 819 69 7  6  1   3 57 6 29  31  
 
     X  XX            XXX             X                            X      X     X XX X X XXXX  X   X XXX XX X  X  X   X XX X XX  XX  
         X                                                         X      X       XX           X   X XXX                             
         X                                                         X              XX               X  XX                             
         X                                                         X              XX                  XX                             
         X                                                         X              XX                   X                             
         X                                                         X              X                    X                             
         X                                                         X              X                    X                             
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000022119   -0.000000087    0.000005362
      2       16           0.000006556   -0.000001410   -0.000005605
      3        6          -0.000001517    0.000008395    0.000001420
      4        7          -0.000007511   -0.000003858   -0.000002947
      5        6           0.000011171    0.000017334    0.000002439
      6        8          -0.000005836   -0.000007661   -0.000000824
      7        8          -0.000000911   -0.000000662    0.000000780
      8        1           0.000002483   -0.000003618   -0.000000152
      9        1           0.000003703   -0.000001408   -0.000001393
     10        1           0.000006300   -0.000003366   -0.000000969
     11        1           0.000003689   -0.000005958   -0.000001285
     12        1           0.000004240    0.000001062    0.000000317
     13        1           0.000002594    0.000002197    0.000001761
     14        1          -0.000002842   -0.000000960    0.000001097
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000022119 RMS     0.000005895
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.921594D+02  0.692271D+00 -0.697703D+00
      2   0.692271D+00  0.779797D+02 -0.609889D+00
      3  -0.697703D+00 -0.609889D+00  0.613663D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216911D+01 -0.331667D+01 -0.249576D+01
      2   0.278462D+01 -0.102144D+01  0.345666D+02
      3  -0.205310D+01 -0.157966D+02  0.325301D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.919257D+02 -0.400198D+01 -0.847099D+00
      2  -0.556788D+02  0.645679D+01  0.204963D+01
      3  -0.362469D+02 -0.245481D+01 -0.120254D+01
      4   0.557354D+01  0.153888D+02 -0.123702D+01
      5   0.384247D+01 -0.316787D+01  0.646253D+02
      6   0.143492D+01  0.564558D+01  0.108744D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.876921D+01 -0.272025D+01  0.177419D+01 -0.414105D+01  0.122370D+01
      2  -0.272025D+01  0.391008D+00  0.443000D+00  0.122370D+01  0.338063D+01
      3   0.177419D+01  0.443000D+00 -0.595126D+00 -0.841664D-01  0.134339D+01
                 6             7             8             9            10 
      1  -0.841664D-01  0.363172D+01 -0.482597D+00  0.170114D+01  0.170238D+02
      2   0.134339D+01 -0.482597D+00  0.159519D+01  0.832841D+00  0.455669D+00
      3  -0.375416D+00  0.170114D+01  0.832841D+00 -0.640265D+01 -0.235573D+01
                11            12            13            14            15 
      1   0.455669D+00 -0.235573D+01 -0.426220D-01  0.233259D+01 -0.194830D+00
      2   0.100633D+01 -0.618260D+00  0.233259D+01 -0.576591D+01 -0.354772D+01
      3  -0.618260D+00  0.250709D+01 -0.194830D+00 -0.354772D+01 -0.255971D+01
                16            17            18            19            20 
      1  -0.406418D+01 -0.144777D+00  0.396213D+01  0.365456D+01  0.298173D+01
      2  -0.144777D+00 -0.381501D+01 -0.181969D+01  0.298173D+01 -0.885784D+00
      3   0.396213D+01 -0.181969D+01 -0.182621D+01 -0.270533D+00  0.460830D+00
                21            22            23            24            25 
      1  -0.270533D+00  0.549864D+01  0.268823D+00 -0.850676D-01 -0.204980D+01
      2   0.460830D+00  0.268823D+00 -0.214598D+01 -0.787893D+00  0.116115D+01
      3  -0.826788D+00 -0.850676D-01 -0.787893D+00  0.902894D+00 -0.808336D+00
                26            27            28            29            30 
      1   0.116115D+01 -0.808336D+00 -0.191592D+01 -0.139050D+01  0.106041D+01
      2  -0.116359D+01  0.255993D+00 -0.139050D+01 -0.201515D+01 -0.130963D-01
      3   0.255993D+00  0.580107D+01  0.106041D+01 -0.130963D-01 -0.137689D+01
                31            32            33            34            35 
      1  -0.167983D+01 -0.245609D+01  0.397778D+00  0.154893D+01  0.150989D+00
      2  -0.245609D+01  0.432616D+01  0.588611D+00  0.150989D+00  0.596953D+00
      3   0.397778D+00  0.588611D+00 -0.108264D+01 -0.167478D+01 -0.840762D+00
                36            37            38            39            40 
      1  -0.167478D+01 -0.483362D+01 -0.207347D+01 -0.127330D+00 -0.239537D+01
      2  -0.840762D+00 -0.207347D+01  0.794749D+00  0.169832D-01  0.199585D+01
      3  -0.387166D+01 -0.127330D+00  0.169832D-01 -0.663200D+00 -0.555374D-01
                41            42            43            44            45 
      1   0.199585D+01 -0.555374D-01  0.441505D+00 -0.161517D+00 -0.272699D+00
      2   0.590609D+01  0.660456D-02 -0.161517D+00  0.451775D+00  0.217138D+00
      3   0.660456D-02  0.326184D+00 -0.272699D+00  0.217138D+00 -0.238374D+00
                46            47            48            49            50 
      1  -0.169832D+01 -0.330449D+01  0.358375D-01 -0.376734D+01 -0.284075D+01
      2  -0.330449D+01 -0.247537D+01 -0.142143D+00 -0.284075D+01 -0.129004D+02
      3   0.358375D-01 -0.142143D+00 -0.686310D-01 -0.324454D-01  0.313703D-01
                51            52            53            54            55 
      1  -0.324454D-01 -0.103574D+00  0.381286D-01 -0.110353D+01 -0.851234D+01
      2   0.313703D-01  0.381286D-01  0.161706D+00 -0.312306D+01  0.173475D+01
      3  -0.222689D+01 -0.110353D+01 -0.312306D+01  0.202449D+00  0.239086D+00
                56            57            58            59            60 
      1   0.173475D+01  0.239086D+00 -0.153496D+01 -0.366578D+01 -0.121805D+00
      2  -0.215808D+01 -0.191136D+00 -0.366578D+01 -0.978816D+00  0.150405D+00
      3  -0.191136D+00 -0.704386D+00 -0.121805D+00  0.150405D+00  0.402318D+00
                61            62            63            64            65 
      1   0.105875D+01  0.225965D-01 -0.190949D+01  0.308787D+00 -0.572664D+00
      2   0.225965D-01  0.470727D-01  0.117328D+01 -0.572664D+00  0.298736D+00
      3  -0.190949D+01  0.117328D+01  0.392509D+00 -0.987039D+00 -0.474796D-01
                66            67            68            69            70 
      1  -0.987039D+00 -0.118241D+01  0.918553D-01  0.682232D-01 -0.173331D+01
      2  -0.474796D-01  0.918553D-01  0.430031D+00 -0.999801D+00 -0.192848D+00
      3   0.800261D+00  0.682232D-01 -0.999801D+00 -0.280552D+00  0.191458D+00
                71            72            73            74            75 
      1  -0.192848D+00  0.191458D+00  0.109860D+00  0.114163D+00  0.964436D+00
      2  -0.131863D+01 -0.749870D-01  0.114163D+00 -0.642900D-01 -0.291202D-01
      3  -0.749870D-01 -0.724381D+01  0.964436D+00 -0.291202D-01 -0.570529D+00
                76            77            78            79            80 
      1   0.100245D+01 -0.322745D+00 -0.153943D+00  0.275828D+01  0.197673D+00
      2  -0.322745D+00 -0.738478D+00  0.930882D+00  0.197673D+00  0.117014D+01
      3  -0.153943D+00  0.930882D+00  0.214163D+00 -0.172398D+01 -0.134516D+01
                81            82            83            84            85 
      1  -0.172398D+01 -0.246669D+00 -0.605458D+00 -0.561330D+00 -0.189859D+01
      2  -0.134516D+01 -0.605458D+00 -0.310865D-01 -0.202919D-01 -0.769860D+00
      3   0.792231D+01 -0.561330D+00 -0.202919D-01 -0.779880D-01 -0.125402D+00
                86            87            88            89            90 
      1  -0.769860D+00 -0.125402D+00 -0.171000D+01 -0.258857D+00 -0.332913D+00
      2  -0.765096D+01 -0.665796D+00 -0.258857D+00 -0.142236D+01 -0.115823D+01
      3  -0.665796D+00 -0.100258D+01 -0.332913D+00 -0.115823D+01 -0.102502D+00
                91            92            93            94            95 
      1   0.184422D+01  0.175012D+01 -0.657247D-01  0.459561D+01  0.985367D-01
      2   0.175012D+01  0.550438D+00  0.983323D-01  0.985367D-01  0.450430D+01
      3  -0.657247D-01  0.983323D-01 -0.453341D+00  0.815038D-02  0.255235D-01
                96            97            98            99           100 
      1   0.815038D-02 -0.295256D+00 -0.759328D-01 -0.622170D+00  0.222166D+01
      2   0.255235D-01 -0.759328D-01 -0.170576D+00  0.506818D+00  0.192172D+01
      3   0.798290D+00 -0.622170D+00  0.506818D+00 -0.167367D-01 -0.903935D+00
               101           102           103           104           105 
      1   0.192172D+01 -0.903935D+00  0.256882D+01  0.188020D+01 -0.698216D+00
      2   0.272634D+01 -0.754227D+00  0.188020D+01  0.342838D+01 -0.891659D+00
      3  -0.754227D+00  0.108522D+01 -0.698216D+00 -0.891659D+00  0.115145D+01
               106           107           108           109           110 
      1  -0.220722D+01 -0.926515D+00  0.955115D+00 -0.229519D+00  0.544495D+00
      2  -0.926515D+00 -0.187986D+01  0.135019D+01  0.544495D+00  0.434546D+00
      3   0.955115D+00  0.135019D+01 -0.147096D+01  0.400660D+00  0.625899D+00
               111           112           113           114           115 
      1   0.400660D+00  0.599630D+00  0.242964D+00  0.385489D+00  0.144734D+01
      2   0.625899D+00  0.242964D+00  0.124674D+01  0.812893D+00  0.242513D+00
      3   0.582447D+00  0.385489D+00  0.812893D+00  0.993288D+00  0.968935D+00
               116           117           118           119           120 
      1   0.242513D+00  0.968935D+00  0.104269D+01  0.116417D+01  0.797004D+00
      2   0.218550D+01  0.195589D+01  0.116417D+01  0.142762D+01  0.170710D+00
      3   0.195589D+01  0.575102D+01  0.797004D+00  0.170710D+00  0.361860D+00
               121           122           123           124           125 
      1   0.237700D+01  0.192071D+01  0.691771D+00  0.127682D+01  0.429995D+00
      2   0.192071D+01  0.695826D+01  0.300320D+01  0.429995D+00  0.356169D+01
      3   0.691771D+00  0.300320D+01  0.273921D+01  0.669113D+00  0.206974D+01
               126 
      1   0.669113D+00
      2   0.206974D+01
      3   0.110355D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.173559D+01 -0.139661D+01  0.932255D+00 -0.572049D+00  0.569999D+01
      2   0.454990D+01  0.163617D+01 -0.234933D+01 -0.311703D+00  0.118251D+01
      3   0.555571D+01  0.252835D+01 -0.281423D+01  0.122248D+02 -0.394000D+01
                 6             7             8             9            10 
      1  -0.253002D+01  0.286598D+01  0.346214D+01 -0.497987D+01 -0.125749D+00
      2  -0.202358D+01 -0.102099D+02 -0.101187D+00 -0.289386D+01 -0.981108D+01
      3  -0.253865D+01 -0.181723D+01 -0.122489D+01 -0.165676D+01 -0.932850D+01
                11            12            13            14            15 
      1   0.190874D+01  0.865161D+00  0.212921D+01 -0.958740D+00 -0.595933D+01
      2  -0.176303D+01  0.125980D+02 -0.156192D-01 -0.105553D+02 -0.852862D+01
      3  -0.846026D+01  0.236051D+01  0.988576D+01  0.180673D+02  0.106865D+02
                16            17            18            19            20 
      1   0.328517D+01  0.993909D+01  0.506940D+00 -0.225596D+01  0.657060D+00
      2  -0.545391D+01 -0.551155D+01 -0.378428D+01  0.379750D+01 -0.112284D+01
      3  -0.116842D+01  0.114764D+02  0.323164D+01  0.458357D+01 -0.682005D+01
                21            22            23            24            25 
      1  -0.857165D+00  0.760200D+00  0.760464D-01 -0.523275D+00 -0.227321D+01
      2   0.371501D+01  0.159185D+01 -0.237119D+01  0.352853D+01 -0.322015D+01
      3   0.671814D+00 -0.238024D+01 -0.282923D+01  0.522073D+00  0.110309D+01
                26            27            28            29            30 
      1   0.414764D+01 -0.231624D+00 -0.291543D+01 -0.799567D+00  0.461073D+01
      2   0.530229D+00 -0.511352D+01 -0.157317D+01  0.163849D+01  0.541876D+01
      3   0.170079D+01 -0.187656D+00 -0.590012D+01 -0.114262D+02  0.184590D+01
                31            32            33            34            35 
      1  -0.222108D+01 -0.306519D+01 -0.231224D+01  0.459758D+01  0.650703D+01
      2   0.160489D+00  0.100211D+01 -0.124081D+01 -0.189531D+01 -0.196859D+00
      3   0.747784D+00 -0.352866D-01  0.947617D+00  0.452327D+01  0.435106D+00
                36            37            38            39            40 
      1   0.815248D+01  0.137729D+01  0.681628D+00  0.239630D+00  0.166828D+01
      2   0.340083D+01 -0.413313D+01 -0.525645D-01 -0.611360D+01 -0.170447D+01
      3  -0.478289D+01 -0.624624D+01  0.108444D+01 -0.233441D+00  0.231938D+01
                41            42            43            44            45 
      1   0.237190D+00  0.886312D+01  0.479907D+00  0.921208D+01 -0.302928D+00
      2   0.145814D+01 -0.279435D+01 -0.196839D+02 -0.266459D+01  0.358894D+01
      3   0.119019D+02 -0.136722D+01  0.277498D+01 -0.165996D+01  0.119379D+01
                46            47            48            49            50 
      1   0.778037D-01  0.571653D-01 -0.262314D+01  0.294979D-01  0.924363D+00
      2  -0.667021D-01  0.656770D-01  0.540555D+01 -0.951767D+00 -0.100866D+01
      3  -0.187384D+01 -0.582840D+01  0.329704D-01  0.906323D+01 -0.229341D+02
                51            52            53            54            55 
      1  -0.107162D+02 -0.678415D+00  0.883137D+00  0.483479D+00 -0.853453D+00
      2   0.548272D+01  0.342054D+01  0.602444D+01 -0.115692D+01 -0.200809D+00
      3   0.605835D+00 -0.172427D+01  0.453257D+00 -0.553326D+01 -0.412728D+01
                56            57            58            59            60 
      1  -0.261291D+00  0.256591D+01  0.203087D+00 -0.192677D+00 -0.360596D+01
      2  -0.243159D+00  0.919885D+01  0.126943D+01 -0.575689D-01 -0.135439D+01
      3  -0.168596D+02  0.156474D+00 -0.135310D+02 -0.792034D+01 -0.151665D+00
                61            62            63            64            65 
      1   0.350116D+00  0.201739D+01 -0.276737D+00  0.504741D+00 -0.795210D+00
      2   0.706317D+01 -0.107938D+01 -0.206025D+01  0.184494D+01 -0.139158D+00
      3  -0.338285D+00  0.178723D+01  0.233085D+01  0.303948D+00 -0.260422D+00
                66            67            68            69            70 
      1   0.162949D+00 -0.496578D+00 -0.342647D+00 -0.287440D+00  0.209768D+00
      2  -0.781792D-01 -0.346440D+00  0.699380D+00 -0.100885D+00 -0.264606D+01
      3  -0.223644D+00  0.179133D+01  0.190478D+00 -0.114334D+00 -0.375282D+00
                71            72            73            74            75 
      1   0.259266D+01  0.131270D+01  0.682349D+00 -0.875438D+00 -0.871695D+00
      2  -0.117665D+00  0.328789D+01  0.218543D+01 -0.316976D+00  0.195798D+01
      3  -0.547029D+00  0.112974D+01  0.319742D+00 -0.194151D+01 -0.421731D+00
                76            77            78            79            80 
      1  -0.635063D+00  0.282817D+00 -0.115922D+00 -0.215783D+01  0.167038D+01
      2  -0.540950D+00  0.868404D+00  0.192133D+00 -0.471804D+01 -0.974242D+00
      3   0.259769D+00  0.910752D+00 -0.374332D+00 -0.268387D+01 -0.641283D+00
                81            82            83            84            85 
      1   0.700462D+01 -0.817700D+00 -0.135536D+00 -0.478048D+00 -0.263597D+00
      2   0.541099D+01 -0.459597D+00  0.235057D+00  0.106512D+01 -0.746769D-01
      3   0.279173D+01  0.245816D+01  0.202661D+00  0.733369D+00  0.612190D+01
                86            87            88            89            90 
      1  -0.358239D+01 -0.310160D+01 -0.517138D+00 -0.925026D+00 -0.309937D+00
      2  -0.112202D+00 -0.655881D+00 -0.120801D+01 -0.779002D+00 -0.321341D+00
      3   0.896428D+01  0.942498D+00  0.269178D+01  0.204706D+01  0.145490D+01
                91            92            93            94            95 
      1   0.443695D+00  0.141625D+00  0.893293D+00 -0.274382D-01  0.378437D+00
      2  -0.146746D+00 -0.464083D+00 -0.114644D+01 -0.151535D+00 -0.372231D+00
      3   0.919754D+01  0.868137D+01  0.180442D+00  0.121688D+02  0.170344D+02
                96            97            98            99           100 
      1  -0.102374D+01  0.850452D+00  0.114942D+01  0.233376D+00  0.227945D+01
      2  -0.219449D+01 -0.177877D+01 -0.170570D+01  0.439709D-01  0.188777D+01
      3   0.519008D+00 -0.353155D+00 -0.967040D+00  0.162860D+00  0.815897D+01
               101           102           103           104           105 
      1   0.154628D+01 -0.334889D+01  0.158502D+01  0.178264D+01 -0.245621D+01
      2  -0.579511D-01 -0.143151D+00  0.257343D+00  0.497440D+00  0.694584D+00
      3   0.405106D+01 -0.241894D+01  0.799359D+01  0.424691D+01 -0.191886D+01
               106           107           108           109           110 
      1  -0.276691D+01 -0.115706D+01  0.225801D+01 -0.681906D+00 -0.448815D+00
      2  -0.218727D+01  0.368544D+00 -0.727144D+00 -0.122473D+01  0.101061D+00
      3  -0.643829D+01 -0.239830D+01  0.224187D+01  0.839199D+00  0.915339D+00
               111           112           113           114           115 
      1  -0.200583D+01 -0.470675D+00 -0.176331D+01 -0.261163D+01 -0.289410D+01
      2  -0.548789D+00 -0.680301D-01 -0.681031D+00  0.512440D-01 -0.318500D+01
      3   0.655196D+00  0.213566D+01  0.701983D+00  0.130991D+01  0.335673D+01
               116           117           118           119           120 
      1  -0.217694D+01 -0.122601D+02  0.549272D+00 -0.280032D+00 -0.851607D-01
      2  -0.585925D+00 -0.272851D+01  0.301286D+01  0.174038D+00  0.170668D+01
      3   0.160380D+01  0.382092D+01 -0.427836D+01 -0.484874D+01 -0.224361D+00
               121           122           123           124           125 
      1  -0.135125D+01  0.832738D+00 -0.430605D+01 -0.101386D+01  0.166001D+01
      2   0.886085D+00  0.945015D+01  0.894380D+01 -0.368524D+00  0.647718D+01
      3  -0.272967D+01 -0.240434D+02 -0.941665D+01  0.448961D+00 -0.120651D+02
               126 
      1  -0.189078D+01
      2   0.340150D+01
      3  -0.619773D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.454728D+02 -0.607900D+01  0.536513D+01 -0.165896D+02  0.122308D+02
      2   0.245946D+02  0.353940D+01 -0.468553D+01  0.986445D+01 -0.142896D+02
      3   0.208783D+02  0.253959D+01 -0.679591D+00  0.672518D+01  0.205878D+01
      4  -0.232125D+00 -0.498377D+01  0.214720D+01  0.807681D+01  0.171274D+01
      5   0.742999D+01  0.336460D+01 -0.108980D+02 -0.675368D+00  0.229822D+01
      6  -0.471382D+01  0.121696D+01 -0.906150D+00  0.102200D+01 -0.368643D+01
                 6             7             8             9            10 
      1   0.127296D+01  0.121767D+02 -0.144183D+00  0.155883D+02  0.101291D+03
      2  -0.293764D+01 -0.101705D+02 -0.288160D+01 -0.985309D-01 -0.559678D+02
      3   0.166468D+01 -0.200616D+01  0.302578D+01 -0.154898D+02 -0.453229D+02
      4   0.147778D+01 -0.268165D+01  0.191446D+01  0.169282D+01 -0.467508D+01
      5  -0.376414D+01  0.621104D+01  0.129811D+01 -0.611416D+01 -0.124468D+02
      6   0.163425D+01 -0.643195D+00  0.133447D+01  0.411611D+01  0.121376D-01
                11            12            13            14            15 
      1   0.131784D+01 -0.134441D+02  0.561914D+01  0.140256D+01 -0.227886D+00
      2  -0.284615D+01  0.647544D+01 -0.756964D+01  0.883827D+01 -0.373959D+01
      3   0.152831D+01  0.696867D+01  0.195050D+01 -0.102408D+02  0.396748D+01
      4   0.164990D+02 -0.472026D+01  0.249787D+02 -0.351863D+02 -0.171300D+02
      5  -0.544196D+01  0.286752D+02 -0.366317D+01 -0.186900D+02 -0.134037D+02
      6   0.400342D+00 -0.112659D+01 -0.169678D+01 -0.668672D+01  0.145730D+02
                16            17            18            19            20 
      1  -0.188268D+02  0.277326D+01  0.425935D+01 -0.301994D+01 -0.240405D+01
      2   0.792916D+01 -0.756800D+00 -0.212498D+02  0.557065D+01  0.976862D+00
      3   0.108976D+02 -0.201647D+01  0.169905D+02 -0.255071D+01  0.142719D+01
      4  -0.307634D+00 -0.187061D+02 -0.117021D+02 -0.613459D+01  0.684162D+01
      5   0.358858D+02 -0.114244D+02 -0.649233D+01  0.318425D+01 -0.102476D+00
      6  -0.398404D+01  0.113643D+02 -0.359584D+01  0.119243D+01 -0.115528D+01
                21            22            23            24            25 
      1  -0.420172D+00  0.842339D+01  0.853970D+00  0.192883D+01 -0.930350D+01
      2  -0.131628D+01 -0.377469D+01 -0.561674D+01 -0.687284D+00  0.453733D+01
      3   0.173645D+01 -0.464869D+01  0.476277D+01 -0.124154D+01  0.476616D+01
      4  -0.659282D+00 -0.712086D+01  0.862717D+01 -0.119152D+01 -0.279738D+01
      5   0.207822D+01  0.907571D-01 -0.302109D+00  0.425535D+01 -0.139633D+01
      6  -0.713597D-01 -0.232503D+01 -0.558216D+00 -0.231173D+01  0.260747D+00
                26            27            28            29            30 
      1   0.133485D+01  0.577899D+01  0.164695D+02  0.678662D+01  0.923379D+00
      2  -0.371888D+01  0.902206D+01 -0.133392D+02 -0.998896D+01  0.182128D+01
      3   0.238404D+01 -0.148010D+02 -0.313027D+01  0.320234D+01 -0.274465D+01
      4  -0.517521D+00  0.847773D+00 -0.532070D+01 -0.311992D+01  0.294627D+01
      5  -0.799690D-01 -0.305236D+01  0.592052D+00  0.122749D+01  0.517730D+01
      6   0.113651D+01  0.135515D+01  0.522248D+01  0.192004D+01 -0.830210D+01
                31            32            33            34            35 
      1   0.277766D+01 -0.145057D+02 -0.137150D+01 -0.770040D+00  0.120493D+00
      2  -0.854089D+01  0.247787D+02  0.372071D+01  0.239020D+01  0.421324D+01
      3   0.576324D+01 -0.102730D+02 -0.234921D+01 -0.162016D+01 -0.433373D+01
      4   0.299310D+01 -0.137075D+02  0.111580D+01  0.369457D+01  0.949880D+00
      5   0.793369D+00  0.186662D+00 -0.294325D+01  0.430075D+01 -0.264241D+01
      6   0.279032D+01  0.429896D+01  0.157463D+01 -0.910461D+01 -0.140454D+01
                36            37            38            39            40 
      1   0.458963D+01 -0.804000D+01  0.115536D+02 -0.594368D+00 -0.784565D+00
      2  -0.196265D+01  0.217844D+01 -0.109103D+02 -0.139555D+01 -0.411766D+01
      3  -0.262698D+01  0.586156D+01 -0.643274D+00  0.198992D+01  0.490222D+01
      4  -0.710728D+01  0.672317D+01 -0.127434D+02  0.198556D+00 -0.209277D+02
      5   0.199111D+01 -0.917418D+00 -0.385150D+00 -0.796326D+01 -0.246901D+01
      6  -0.131317D+02 -0.611235D+00 -0.258249D+00  0.135095D+01 -0.785102D+00
                41            42            43            44            45 
      1   0.781178D+01 -0.119319D+00  0.302186D+01 -0.295442D+01 -0.439236D+01
      2  -0.190043D+02  0.142036D+00 -0.286837D+01  0.198117D+01 -0.641673D+01
      3   0.111925D+02 -0.227170D-01 -0.153487D+00  0.973246D+00  0.108091D+02
      4  -0.291412D+02  0.501173D+00  0.344776D+00  0.239124D+01 -0.248568D+01
      5  -0.217944D+00 -0.311857D+01  0.287532D+01 -0.201075D+01  0.377193D+01
      6  -0.140201D+01 -0.123479D+02 -0.300320D+00  0.329136D+01  0.799658D+00
                46            47            48            49            50 
      1   0.121381D+02  0.688761D+01 -0.227271D+00  0.105557D+02 -0.235629D+02
      2  -0.188329D+01  0.215767D+01  0.520535D+00  0.245950D+01  0.438774D+02
      3  -0.102549D+02 -0.904528D+01 -0.293264D+00 -0.130152D+02 -0.203145D+02
      4   0.197595D+02  0.238882D+02 -0.349024D-01  0.256179D+02  0.563192D+02
      5   0.550801D+00  0.231494D+00  0.843892D+01  0.154870D+01  0.776889D+00
      6   0.494184D+00  0.463644D+00  0.360169D+01  0.109978D+01  0.134647D+01
                51            52            53            54            55 
      1  -0.418927D+00 -0.616507D+00  0.444151D-01 -0.402385D+01  0.558966D+02
      2   0.576503D-02  0.975986D+00 -0.639991D+00  0.326842D+01 -0.327431D+02
      3   0.413162D+00 -0.359479D+00  0.595576D+00  0.755425D+00 -0.231535D+02
      4   0.183190D+00 -0.293680D+00 -0.108400D+01  0.132166D+02 -0.209704D+02
      5   0.107785D+02  0.968788D+01  0.135160D+02 -0.804567D+00 -0.658465D+00
      6   0.165479D+02  0.422073D+01  0.143140D+02 -0.323218D+00  0.467814D+00
                56            57            58            59            60 
      1  -0.910712D+01  0.366841D-01  0.563992D+01  0.129560D+02 -0.587735D+00
      2   0.275023D+01  0.519207D+00 -0.669456D+01 -0.516670D+01  0.195862D+00
      3   0.635689D+01 -0.555891D+00  0.105464D+01 -0.778929D+01  0.391873D+00
      4   0.202044D+02  0.251365D+00  0.202921D+02 -0.300863D+01 -0.857170D+00
      5  -0.166097D+00  0.170836D+02 -0.158891D+00 -0.902302D+00 -0.401872D+01
      6  -0.202992D+00 -0.425321D+01 -0.786275D+00  0.758983D+00  0.697498D+01
                61            62            63            64            65 
      1  -0.148147D+01  0.817757D+00  0.684092D+01  0.345068D+00  0.600989D+00
      2   0.146371D+01  0.381578D-01 -0.872711D+01 -0.344460D+01 -0.257765D+00
      3   0.177589D-01 -0.855914D+00  0.188619D+01  0.309953D+01 -0.343224D+00
      4   0.627570D+00 -0.146194D+01 -0.585984D+01  0.319501D+00  0.272828D+00
      5   0.163908D+02 -0.657065D+01 -0.338914D+01 -0.685136D+00  0.461912D-02
      6  -0.201024D+01  0.495416D+01  0.537976D+00 -0.504178D+00  0.294633D+00
                66            67            68            69            70 
      1   0.669957D+00  0.131693D+00 -0.439589D+01 -0.263493D+00  0.215160D+01
      2   0.102117D+01  0.625168D+00  0.720864D+00 -0.877194D+00  0.760139D+00
      3  -0.169113D+01 -0.756861D+00  0.367502D+01  0.114069D+01 -0.291174D+01
      4  -0.193382D+00  0.203245D+01 -0.815308D+00  0.401239D+00  0.105276D+01
      5   0.411098D+01  0.210438D+00  0.102574D+00 -0.224691D+00  0.388981D+01
      6   0.287634D+00  0.193415D+00  0.442135D+00  0.607111D+01  0.210695D+00
                71            72            73            74            75 
      1   0.113382D+01 -0.170798D+02  0.289470D+01  0.149289D-01  0.366224D+01
      2  -0.113656D+01 -0.126461D+02 -0.453266D+01  0.985925D-01  0.495612D+00
      3   0.274403D-02  0.297259D+02  0.163796D+01 -0.113521D+00 -0.415785D+01
      4   0.936474D+00 -0.887197D+00  0.315730D+00  0.284188D+01 -0.172886D+01
      5  -0.809576D-01  0.247490D+01 -0.104986D+01 -0.121072D+01  0.717327D+01
      6   0.363960D+01 -0.249250D+01 -0.769394D+00 -0.100338D+01  0.949860D+00
                76            77            78            79            80 
      1   0.250329D+01 -0.531144D+01  0.862591D+00  0.109914D+02  0.480564D+01
      2  -0.994365D+00  0.269756D+01 -0.995133D+00 -0.172003D+01 -0.567019D+00
      3  -0.150892D+01  0.261388D+01  0.132541D+00 -0.927135D+01 -0.423862D+01
      4   0.681921D+00 -0.805001D+00  0.891676D+00 -0.966264D+00  0.659959D+00
      5  -0.101838D+01  0.724450D+00  0.166936D+00  0.151775D+01 -0.154838D+01
      6  -0.127841D+01 -0.197315D+01  0.539256D+01  0.170710D+01  0.578256D+01
                81            82            83            84            85 
      1  -0.261547D+02  0.233537D+01 -0.847198D+00 -0.932257D+00 -0.585352D+01
      2  -0.726022D+01  0.119626D+01  0.660799D+00  0.124156D+01  0.483822D+01
      3   0.334150D+02 -0.353163D+01  0.186399D+00 -0.309305D+00  0.101530D+01
      4  -0.116140D+01  0.324065D+00  0.475705D+01  0.336166D+00  0.280012D+01
      5   0.724837D+01 -0.766808D+00 -0.149806D+00  0.151607D+01 -0.965738D+00
      6  -0.105792D+02  0.945946D+00  0.974028D-01  0.180541D+00 -0.163402D+00
                86            87            88            89            90 
      1  -0.196485D+02 -0.153438D+01 -0.391602D+01 -0.370916D+01 -0.541651D+01
      2   0.288770D+02  0.310720D+01  0.299763D+01  0.455779D+01  0.279234D+01
      3  -0.922853D+01 -0.157281D+01  0.918390D+00 -0.848632D+00  0.262417D+01
      4  -0.107391D+02 -0.851098D+00 -0.223428D+00 -0.230936D+01 -0.136540D+01
      5  -0.119632D+01 -0.139523D+01  0.544114D+00 -0.150275D+01 -0.537749D+00
      6   0.471469D+00  0.446322D+01  0.827597D+00  0.560867D+01  0.138164D+01
                91            92            93            94            95 
      1  -0.135272D+02 -0.430022D+01 -0.114501D+00 -0.163437D+02 -0.648372D+01
      2   0.106121D+02  0.122133D+01  0.200915D+00  0.873647D+01  0.974836D+01
      3   0.291504D+01  0.307890D+01 -0.864132D-01  0.760727D+01 -0.326464D+01
      4  -0.254971D+01 -0.815199D+00 -0.281592D+00  0.685192D+01 -0.190875D+02
      5   0.381493D+00  0.306261D+00 -0.147255D+01  0.646657D+00  0.404503D+00
      6  -0.847795D-01 -0.234557D-01 -0.174699D+01  0.245332D+00 -0.131753D+00
                96            97            98            99           100 
      1   0.189494D+00  0.907361D+00  0.385868D+00 -0.621830D+00 -0.313720D+01
      2  -0.171490D+00 -0.558587D+00 -0.423335D+00  0.328122D-01  0.674413D+01
      3  -0.180039D-01 -0.348775D+00  0.374672D-01  0.589018D+00 -0.360693D+01
      4  -0.801790D-01 -0.672075D-01  0.501831D+00 -0.260248D+01  0.748812D+01
      5  -0.395709D+01  0.303853D+01 -0.237040D+01  0.143863D+00 -0.185735D+01
      6   0.153734D+01 -0.150081D+01  0.242971D+01 -0.251887D+00 -0.526689D+01
               101           102           103           104           105 
      1  -0.748528D+01  0.156847D+01 -0.477270D+01 -0.953511D+01  0.258449D+01
      2   0.120935D+02 -0.321906D+01  0.827056D+01  0.154948D+02 -0.446495D+01
      3  -0.460818D+01  0.165060D+01 -0.349786D+01 -0.595972D+01  0.188045D+01
      4   0.859209D+01 -0.328379D+01  0.863502D+01  0.750616D+01 -0.299078D+01
      5  -0.162229D+01  0.155862D+01 -0.342451D+00 -0.163780D+01  0.161430D+01
      6  -0.511005D+01  0.591139D+01 -0.421300D+01 -0.584802D+01  0.533455D+01
               106           107           108           109           110 
      1   0.249657D+01  0.555909D+01 -0.528166D+01 -0.183466D+01 -0.218596D+01
      2  -0.349396D+01 -0.665608D+01  0.332942D+01  0.133734D+01  0.246490D+01
      3   0.997384D+00  0.109699D+01  0.195224D+01  0.497325D+00 -0.278936D+00
      4  -0.489706D+01 -0.358868D+01  0.425317D+01  0.363043D-01  0.275218D+01
      5   0.185681D+01  0.204853D+01 -0.246069D+01  0.796136D+00  0.842394D+00
      6   0.538215D+01  0.771704D+01 -0.619732D+01  0.129446D+01  0.287008D+01
               111           112           113           114           115 
      1  -0.212919D+01 -0.362949D+00 -0.430240D+01 -0.287241D+01 -0.906384D+00
      2   0.119328D+01  0.601943D+00  0.448123D+01  0.304259D+01 -0.169837D+00
      3   0.935914D+00 -0.238994D+00 -0.178833D+00 -0.170182D+00  0.107622D+01
      4   0.155442D+01  0.331851D+01  0.156419D+01  0.128873D+01  0.335028D+01
      5   0.154888D+01  0.180399D+00  0.421086D+00  0.948990D+00  0.207058D+01
      6   0.367873D+01  0.205704D+01  0.385441D+01  0.689647D+01  0.430804D+01
               116           117           118           119           120 
      1  -0.729804D+01 -0.120105D+02  0.654103D+01  0.617031D+01  0.470575D+01
      2   0.535859D+01 -0.668653D+00 -0.176250D+01 -0.242159D+01 -0.240743D+01
      3   0.193945D+01  0.126791D+02 -0.477852D+01 -0.374872D+01 -0.229832D+01
      4   0.137441D+01  0.252307D+01  0.560848D+01  0.129927D+02  0.285819D+01
      5   0.308385D+00  0.119031D+00  0.474938D+01  0.249175D+01  0.433906D+01
      6   0.980856D+01  0.218021D+02  0.232084D+01  0.490302D+00  0.445595D+00
               121           122           123           124           125 
      1   0.859481D+01  0.504238D+00  0.963877D+00  0.454036D+01 -0.246281D+01
      2  -0.278147D+01  0.853586D+01  0.284594D+01 -0.160769D+01  0.103792D+01
      3  -0.581333D+01 -0.904010D+01 -0.380981D+01 -0.293267D+01  0.142488D+01
      4   0.139295D+02  0.374534D+02  0.165434D+02  0.316435D+01  0.189394D+02
      5   0.582269D+01  0.180321D+02  0.150612D+02  0.528658D+01  0.117518D+02
      6   0.314241D+01  0.850399D+01  0.502589D+01  0.131842D+01  0.800326D+01
               126 
      1  -0.298688D+01
      2  -0.326118D+00
      3   0.331300D+01
      4   0.106380D+02
      5   0.640409D+01
      6   0.596914D+01
 Leave Link  716 at Thu Aug 12 21:23:30 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.921594D+02  0.692271D+00 -0.697703D+00
      2   0.692271D+00  0.779797D+02 -0.609889D+00
      3  -0.697703D+00 -0.609889D+00  0.613663D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.216911D+01 -0.331667D+01 -0.249576D+01
      2   0.278462D+01 -0.102144D+01  0.345666D+02
      3  -0.205310D+01 -0.157966D+02  0.325301D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.919257D+02 -0.400198D+01 -0.847099D+00
      2  -0.556788D+02  0.645679D+01  0.204963D+01
      3  -0.362469D+02 -0.245481D+01 -0.120254D+01
      4   0.557354D+01  0.153888D+02 -0.123702D+01
      5   0.384247D+01 -0.316787D+01  0.646253D+02
      6   0.143492D+01  0.564558D+01  0.108744D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.876921D+01 -0.272025D+01  0.177419D+01 -0.414105D+01  0.122370D+01
      2  -0.272025D+01  0.391008D+00  0.443000D+00  0.122370D+01  0.338063D+01
      3   0.177419D+01  0.443000D+00 -0.595126D+00 -0.841664D-01  0.134339D+01
                 6             7             8             9            10 
      1  -0.841664D-01  0.363172D+01 -0.482597D+00  0.170114D+01  0.170238D+02
      2   0.134339D+01 -0.482597D+00  0.159519D+01  0.832841D+00  0.455669D+00
      3  -0.375416D+00  0.170114D+01  0.832841D+00 -0.640265D+01 -0.235573D+01
                11            12            13            14            15 
      1   0.455669D+00 -0.235573D+01 -0.426220D-01  0.233259D+01 -0.194830D+00
      2   0.100633D+01 -0.618260D+00  0.233259D+01 -0.576591D+01 -0.354772D+01
      3  -0.618260D+00  0.250709D+01 -0.194830D+00 -0.354772D+01 -0.255971D+01
                16            17            18            19            20 
      1  -0.406418D+01 -0.144777D+00  0.396213D+01  0.365456D+01  0.298173D+01
      2  -0.144777D+00 -0.381501D+01 -0.181969D+01  0.298173D+01 -0.885784D+00
      3   0.396213D+01 -0.181969D+01 -0.182621D+01 -0.270533D+00  0.460830D+00
                21            22            23            24            25 
      1  -0.270533D+00  0.549864D+01  0.268823D+00 -0.850676D-01 -0.204980D+01
      2   0.460830D+00  0.268823D+00 -0.214598D+01 -0.787893D+00  0.116115D+01
      3  -0.826788D+00 -0.850676D-01 -0.787893D+00  0.902894D+00 -0.808336D+00
                26            27            28            29            30 
      1   0.116115D+01 -0.808336D+00 -0.191592D+01 -0.139050D+01  0.106041D+01
      2  -0.116359D+01  0.255993D+00 -0.139050D+01 -0.201515D+01 -0.130963D-01
      3   0.255993D+00  0.580107D+01  0.106041D+01 -0.130963D-01 -0.137689D+01
                31            32            33            34            35 
      1  -0.167983D+01 -0.245609D+01  0.397778D+00  0.154893D+01  0.150989D+00
      2  -0.245609D+01  0.432616D+01  0.588611D+00  0.150989D+00  0.596953D+00
      3   0.397778D+00  0.588611D+00 -0.108264D+01 -0.167478D+01 -0.840762D+00
                36            37            38            39            40 
      1  -0.167478D+01 -0.483362D+01 -0.207347D+01 -0.127330D+00 -0.239537D+01
      2  -0.840762D+00 -0.207347D+01  0.794749D+00  0.169832D-01  0.199585D+01
      3  -0.387166D+01 -0.127330D+00  0.169832D-01 -0.663200D+00 -0.555374D-01
                41            42            43            44            45 
      1   0.199585D+01 -0.555374D-01  0.441505D+00 -0.161517D+00 -0.272699D+00
      2   0.590609D+01  0.660456D-02 -0.161517D+00  0.451775D+00  0.217138D+00
      3   0.660456D-02  0.326184D+00 -0.272699D+00  0.217138D+00 -0.238374D+00
                46            47            48            49            50 
      1  -0.169832D+01 -0.330449D+01  0.358375D-01 -0.376734D+01 -0.284075D+01
      2  -0.330449D+01 -0.247537D+01 -0.142143D+00 -0.284075D+01 -0.129004D+02
      3   0.358375D-01 -0.142143D+00 -0.686310D-01 -0.324454D-01  0.313703D-01
                51            52            53            54            55 
      1  -0.324454D-01 -0.103574D+00  0.381286D-01 -0.110353D+01 -0.851234D+01
      2   0.313703D-01  0.381286D-01  0.161706D+00 -0.312306D+01  0.173475D+01
      3  -0.222689D+01 -0.110353D+01 -0.312306D+01  0.202449D+00  0.239086D+00
                56            57            58            59            60 
      1   0.173475D+01  0.239086D+00 -0.153496D+01 -0.366578D+01 -0.121805D+00
      2  -0.215808D+01 -0.191136D+00 -0.366578D+01 -0.978816D+00  0.150405D+00
      3  -0.191136D+00 -0.704386D+00 -0.121805D+00  0.150405D+00  0.402318D+00
                61            62            63            64            65 
      1   0.105875D+01  0.225965D-01 -0.190949D+01  0.308787D+00 -0.572664D+00
      2   0.225965D-01  0.470727D-01  0.117328D+01 -0.572664D+00  0.298736D+00
      3  -0.190949D+01  0.117328D+01  0.392509D+00 -0.987039D+00 -0.474796D-01
                66            67            68            69            70 
      1  -0.987039D+00 -0.118241D+01  0.918553D-01  0.682232D-01 -0.173331D+01
      2  -0.474796D-01  0.918553D-01  0.430031D+00 -0.999801D+00 -0.192848D+00
      3   0.800261D+00  0.682232D-01 -0.999801D+00 -0.280552D+00  0.191458D+00
                71            72            73            74            75 
      1  -0.192848D+00  0.191458D+00  0.109860D+00  0.114163D+00  0.964436D+00
      2  -0.131863D+01 -0.749870D-01  0.114163D+00 -0.642900D-01 -0.291202D-01
      3  -0.749870D-01 -0.724381D+01  0.964436D+00 -0.291202D-01 -0.570529D+00
                76            77            78            79            80 
      1   0.100245D+01 -0.322745D+00 -0.153943D+00  0.275828D+01  0.197673D+00
      2  -0.322745D+00 -0.738478D+00  0.930882D+00  0.197673D+00  0.117014D+01
      3  -0.153943D+00  0.930882D+00  0.214163D+00 -0.172398D+01 -0.134516D+01
                81            82            83            84            85 
      1  -0.172398D+01 -0.246669D+00 -0.605458D+00 -0.561330D+00 -0.189859D+01
      2  -0.134516D+01 -0.605458D+00 -0.310865D-01 -0.202919D-01 -0.769860D+00
      3   0.792231D+01 -0.561330D+00 -0.202919D-01 -0.779880D-01 -0.125402D+00
                86            87            88            89            90 
      1  -0.769860D+00 -0.125402D+00 -0.171000D+01 -0.258857D+00 -0.332913D+00
      2  -0.765096D+01 -0.665796D+00 -0.258857D+00 -0.142236D+01 -0.115823D+01
      3  -0.665796D+00 -0.100258D+01 -0.332913D+00 -0.115823D+01 -0.102502D+00
                91            92            93            94            95 
      1   0.184422D+01  0.175012D+01 -0.657247D-01  0.459561D+01  0.985367D-01
      2   0.175012D+01  0.550438D+00  0.983323D-01  0.985367D-01  0.450430D+01
      3  -0.657247D-01  0.983323D-01 -0.453341D+00  0.815038D-02  0.255235D-01
                96            97            98            99           100 
      1   0.815038D-02 -0.295256D+00 -0.759328D-01 -0.622170D+00  0.222166D+01
      2   0.255235D-01 -0.759328D-01 -0.170576D+00  0.506818D+00  0.192172D+01
      3   0.798290D+00 -0.622170D+00  0.506818D+00 -0.167367D-01 -0.903935D+00
               101           102           103           104           105 
      1   0.192172D+01 -0.903935D+00  0.256882D+01  0.188020D+01 -0.698216D+00
      2   0.272634D+01 -0.754227D+00  0.188020D+01  0.342838D+01 -0.891659D+00
      3  -0.754227D+00  0.108522D+01 -0.698216D+00 -0.891659D+00  0.115145D+01
               106           107           108           109           110 
      1  -0.220722D+01 -0.926515D+00  0.955115D+00 -0.229519D+00  0.544495D+00
      2  -0.926515D+00 -0.187986D+01  0.135019D+01  0.544495D+00  0.434546D+00
      3   0.955115D+00  0.135019D+01 -0.147096D+01  0.400660D+00  0.625899D+00
               111           112           113           114           115 
      1   0.400660D+00  0.599630D+00  0.242964D+00  0.385489D+00  0.144734D+01
      2   0.625899D+00  0.242964D+00  0.124674D+01  0.812893D+00  0.242513D+00
      3   0.582447D+00  0.385489D+00  0.812893D+00  0.993288D+00  0.968935D+00
               116           117           118           119           120 
      1   0.242513D+00  0.968935D+00  0.104269D+01  0.116417D+01  0.797004D+00
      2   0.218550D+01  0.195589D+01  0.116417D+01  0.142762D+01  0.170710D+00
      3   0.195589D+01  0.575102D+01  0.797004D+00  0.170710D+00  0.361860D+00
               121           122           123           124           125 
      1   0.237700D+01  0.192071D+01  0.691771D+00  0.127682D+01  0.429995D+00
      2   0.192071D+01  0.695826D+01  0.300320D+01  0.429995D+00  0.356169D+01
      3   0.691771D+00  0.300320D+01  0.273921D+01  0.669113D+00  0.206974D+01
               126 
      1   0.669113D+00
      2   0.206974D+01
      3   0.110355D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.173559D+01 -0.139661D+01  0.932255D+00 -0.572049D+00  0.569999D+01
      2   0.454990D+01  0.163617D+01 -0.234933D+01 -0.311703D+00  0.118251D+01
      3   0.555571D+01  0.252835D+01 -0.281423D+01  0.122248D+02 -0.394000D+01
                 6             7             8             9            10 
      1  -0.253002D+01  0.286598D+01  0.346214D+01 -0.497987D+01 -0.125749D+00
      2  -0.202358D+01 -0.102099D+02 -0.101187D+00 -0.289386D+01 -0.981108D+01
      3  -0.253865D+01 -0.181723D+01 -0.122489D+01 -0.165676D+01 -0.932850D+01
                11            12            13            14            15 
      1   0.190874D+01  0.865161D+00  0.212921D+01 -0.958740D+00 -0.595933D+01
      2  -0.176303D+01  0.125980D+02 -0.156192D-01 -0.105553D+02 -0.852862D+01
      3  -0.846026D+01  0.236051D+01  0.988576D+01  0.180673D+02  0.106865D+02
                16            17            18            19            20 
      1   0.328517D+01  0.993909D+01  0.506940D+00 -0.225596D+01  0.657060D+00
      2  -0.545391D+01 -0.551155D+01 -0.378428D+01  0.379750D+01 -0.112284D+01
      3  -0.116842D+01  0.114764D+02  0.323164D+01  0.458357D+01 -0.682005D+01
                21            22            23            24            25 
      1  -0.857165D+00  0.760200D+00  0.760464D-01 -0.523275D+00 -0.227321D+01
      2   0.371501D+01  0.159185D+01 -0.237119D+01  0.352853D+01 -0.322015D+01
      3   0.671814D+00 -0.238024D+01 -0.282923D+01  0.522073D+00  0.110309D+01
                26            27            28            29            30 
      1   0.414764D+01 -0.231624D+00 -0.291543D+01 -0.799567D+00  0.461073D+01
      2   0.530229D+00 -0.511352D+01 -0.157317D+01  0.163849D+01  0.541876D+01
      3   0.170079D+01 -0.187656D+00 -0.590012D+01 -0.114262D+02  0.184590D+01
                31            32            33            34            35 
      1  -0.222108D+01 -0.306519D+01 -0.231224D+01  0.459758D+01  0.650703D+01
      2   0.160489D+00  0.100211D+01 -0.124081D+01 -0.189531D+01 -0.196859D+00
      3   0.747784D+00 -0.352866D-01  0.947617D+00  0.452327D+01  0.435106D+00
                36            37            38            39            40 
      1   0.815248D+01  0.137729D+01  0.681628D+00  0.239630D+00  0.166828D+01
      2   0.340083D+01 -0.413313D+01 -0.525645D-01 -0.611360D+01 -0.170447D+01
      3  -0.478289D+01 -0.624624D+01  0.108444D+01 -0.233441D+00  0.231938D+01
                41            42            43            44            45 
      1   0.237190D+00  0.886312D+01  0.479907D+00  0.921208D+01 -0.302928D+00
      2   0.145814D+01 -0.279435D+01 -0.196839D+02 -0.266459D+01  0.358894D+01
      3   0.119019D+02 -0.136722D+01  0.277498D+01 -0.165996D+01  0.119379D+01
                46            47            48            49            50 
      1   0.778037D-01  0.571653D-01 -0.262314D+01  0.294979D-01  0.924363D+00
      2  -0.667021D-01  0.656770D-01  0.540555D+01 -0.951767D+00 -0.100866D+01
      3  -0.187384D+01 -0.582840D+01  0.329704D-01  0.906323D+01 -0.229341D+02
                51            52            53            54            55 
      1  -0.107162D+02 -0.678415D+00  0.883137D+00  0.483479D+00 -0.853453D+00
      2   0.548272D+01  0.342054D+01  0.602444D+01 -0.115692D+01 -0.200809D+00
      3   0.605835D+00 -0.172427D+01  0.453257D+00 -0.553326D+01 -0.412728D+01
                56            57            58            59            60 
      1  -0.261291D+00  0.256591D+01  0.203087D+00 -0.192677D+00 -0.360596D+01
      2  -0.243159D+00  0.919885D+01  0.126943D+01 -0.575689D-01 -0.135439D+01
      3  -0.168596D+02  0.156474D+00 -0.135310D+02 -0.792034D+01 -0.151665D+00
                61            62            63            64            65 
      1   0.350116D+00  0.201739D+01 -0.276737D+00  0.504741D+00 -0.795210D+00
      2   0.706317D+01 -0.107938D+01 -0.206025D+01  0.184494D+01 -0.139158D+00
      3  -0.338285D+00  0.178723D+01  0.233085D+01  0.303948D+00 -0.260422D+00
                66            67            68            69            70 
      1   0.162949D+00 -0.496578D+00 -0.342647D+00 -0.287440D+00  0.209768D+00
      2  -0.781792D-01 -0.346440D+00  0.699380D+00 -0.100885D+00 -0.264606D+01
      3  -0.223644D+00  0.179133D+01  0.190478D+00 -0.114334D+00 -0.375282D+00
                71            72            73            74            75 
      1   0.259266D+01  0.131270D+01  0.682349D+00 -0.875438D+00 -0.871695D+00
      2  -0.117665D+00  0.328789D+01  0.218543D+01 -0.316976D+00  0.195798D+01
      3  -0.547029D+00  0.112974D+01  0.319742D+00 -0.194151D+01 -0.421731D+00
                76            77            78            79            80 
      1  -0.635063D+00  0.282817D+00 -0.115922D+00 -0.215783D+01  0.167038D+01
      2  -0.540950D+00  0.868404D+00  0.192133D+00 -0.471804D+01 -0.974242D+00
      3   0.259769D+00  0.910752D+00 -0.374332D+00 -0.268387D+01 -0.641283D+00
                81            82            83            84            85 
      1   0.700462D+01 -0.817700D+00 -0.135536D+00 -0.478048D+00 -0.263597D+00
      2   0.541099D+01 -0.459597D+00  0.235057D+00  0.106512D+01 -0.746769D-01
      3   0.279173D+01  0.245816D+01  0.202661D+00  0.733369D+00  0.612190D+01
                86            87            88            89            90 
      1  -0.358239D+01 -0.310160D+01 -0.517138D+00 -0.925026D+00 -0.309937D+00
      2  -0.112202D+00 -0.655881D+00 -0.120801D+01 -0.779002D+00 -0.321341D+00
      3   0.896428D+01  0.942498D+00  0.269178D+01  0.204706D+01  0.145490D+01
                91            92            93            94            95 
      1   0.443695D+00  0.141625D+00  0.893293D+00 -0.274382D-01  0.378437D+00
      2  -0.146746D+00 -0.464083D+00 -0.114644D+01 -0.151535D+00 -0.372231D+00
      3   0.919754D+01  0.868137D+01  0.180442D+00  0.121688D+02  0.170344D+02
                96            97            98            99           100 
      1  -0.102374D+01  0.850452D+00  0.114942D+01  0.233376D+00  0.227945D+01
      2  -0.219449D+01 -0.177877D+01 -0.170570D+01  0.439709D-01  0.188777D+01
      3   0.519008D+00 -0.353155D+00 -0.967040D+00  0.162860D+00  0.815897D+01
               101           102           103           104           105 
      1   0.154628D+01 -0.334889D+01  0.158502D+01  0.178264D+01 -0.245621D+01
      2  -0.579511D-01 -0.143151D+00  0.257343D+00  0.497440D+00  0.694584D+00
      3   0.405106D+01 -0.241894D+01  0.799359D+01  0.424691D+01 -0.191886D+01
               106           107           108           109           110 
      1  -0.276691D+01 -0.115706D+01  0.225801D+01 -0.681906D+00 -0.448815D+00
      2  -0.218727D+01  0.368544D+00 -0.727144D+00 -0.122473D+01  0.101061D+00
      3  -0.643829D+01 -0.239830D+01  0.224187D+01  0.839199D+00  0.915339D+00
               111           112           113           114           115 
      1  -0.200583D+01 -0.470675D+00 -0.176331D+01 -0.261163D+01 -0.289410D+01
      2  -0.548789D+00 -0.680301D-01 -0.681031D+00  0.512440D-01 -0.318500D+01
      3   0.655196D+00  0.213566D+01  0.701983D+00  0.130991D+01  0.335673D+01
               116           117           118           119           120 
      1  -0.217694D+01 -0.122601D+02  0.549272D+00 -0.280032D+00 -0.851607D-01
      2  -0.585925D+00 -0.272851D+01  0.301286D+01  0.174038D+00  0.170668D+01
      3   0.160380D+01  0.382092D+01 -0.427836D+01 -0.484874D+01 -0.224361D+00
               121           122           123           124           125 
      1  -0.135125D+01  0.832738D+00 -0.430605D+01 -0.101386D+01  0.166001D+01
      2   0.886085D+00  0.945015D+01  0.894380D+01 -0.368524D+00  0.647718D+01
      3  -0.272967D+01 -0.240434D+02 -0.941665D+01  0.448961D+00 -0.120651D+02
               126 
      1  -0.189078D+01
      2   0.340150D+01
      3  -0.619773D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.454728D+02 -0.607900D+01  0.536513D+01 -0.165896D+02  0.122308D+02
      2   0.245946D+02  0.353940D+01 -0.468553D+01  0.986445D+01 -0.142896D+02
      3   0.208783D+02  0.253959D+01 -0.679591D+00  0.672518D+01  0.205878D+01
      4  -0.232125D+00 -0.498377D+01  0.214720D+01  0.807681D+01  0.171274D+01
      5   0.742999D+01  0.336460D+01 -0.108980D+02 -0.675368D+00  0.229822D+01
      6  -0.471382D+01  0.121696D+01 -0.906150D+00  0.102200D+01 -0.368643D+01
                 6             7             8             9            10 
      1   0.127296D+01  0.121767D+02 -0.144183D+00  0.155883D+02  0.101291D+03
      2  -0.293764D+01 -0.101705D+02 -0.288160D+01 -0.985309D-01 -0.559678D+02
      3   0.166468D+01 -0.200616D+01  0.302578D+01 -0.154898D+02 -0.453229D+02
      4   0.147778D+01 -0.268165D+01  0.191446D+01  0.169282D+01 -0.467508D+01
      5  -0.376414D+01  0.621104D+01  0.129811D+01 -0.611416D+01 -0.124468D+02
      6   0.163425D+01 -0.643195D+00  0.133447D+01  0.411611D+01  0.121376D-01
                11            12            13            14            15 
      1   0.131784D+01 -0.134441D+02  0.561914D+01  0.140256D+01 -0.227886D+00
      2  -0.284615D+01  0.647544D+01 -0.756964D+01  0.883827D+01 -0.373959D+01
      3   0.152831D+01  0.696867D+01  0.195050D+01 -0.102408D+02  0.396748D+01
      4   0.164990D+02 -0.472026D+01  0.249787D+02 -0.351863D+02 -0.171300D+02
      5  -0.544196D+01  0.286752D+02 -0.366317D+01 -0.186900D+02 -0.134037D+02
      6   0.400342D+00 -0.112659D+01 -0.169678D+01 -0.668672D+01  0.145730D+02
                16            17            18            19            20 
      1  -0.188268D+02  0.277326D+01  0.425935D+01 -0.301994D+01 -0.240405D+01
      2   0.792916D+01 -0.756800D+00 -0.212498D+02  0.557065D+01  0.976862D+00
      3   0.108976D+02 -0.201647D+01  0.169905D+02 -0.255071D+01  0.142719D+01
      4  -0.307634D+00 -0.187061D+02 -0.117021D+02 -0.613459D+01  0.684162D+01
      5   0.358858D+02 -0.114244D+02 -0.649233D+01  0.318425D+01 -0.102476D+00
      6  -0.398404D+01  0.113643D+02 -0.359584D+01  0.119243D+01 -0.115528D+01
                21            22            23            24            25 
      1  -0.420172D+00  0.842339D+01  0.853970D+00  0.192883D+01 -0.930350D+01
      2  -0.131628D+01 -0.377469D+01 -0.561674D+01 -0.687284D+00  0.453733D+01
      3   0.173645D+01 -0.464869D+01  0.476277D+01 -0.124154D+01  0.476616D+01
      4  -0.659282D+00 -0.712086D+01  0.862717D+01 -0.119152D+01 -0.279738D+01
      5   0.207822D+01  0.907571D-01 -0.302109D+00  0.425535D+01 -0.139633D+01
      6  -0.713597D-01 -0.232503D+01 -0.558216D+00 -0.231173D+01  0.260747D+00
                26            27            28            29            30 
      1   0.133485D+01  0.577899D+01  0.164695D+02  0.678662D+01  0.923379D+00
      2  -0.371888D+01  0.902206D+01 -0.133392D+02 -0.998896D+01  0.182128D+01
      3   0.238404D+01 -0.148010D+02 -0.313027D+01  0.320234D+01 -0.274465D+01
      4  -0.517521D+00  0.847773D+00 -0.532070D+01 -0.311992D+01  0.294627D+01
      5  -0.799690D-01 -0.305236D+01  0.592052D+00  0.122749D+01  0.517730D+01
      6   0.113651D+01  0.135515D+01  0.522248D+01  0.192004D+01 -0.830210D+01
                31            32            33            34            35 
      1   0.277766D+01 -0.145057D+02 -0.137150D+01 -0.770040D+00  0.120493D+00
      2  -0.854089D+01  0.247787D+02  0.372071D+01  0.239020D+01  0.421324D+01
      3   0.576324D+01 -0.102730D+02 -0.234921D+01 -0.162016D+01 -0.433373D+01
      4   0.299310D+01 -0.137075D+02  0.111580D+01  0.369457D+01  0.949880D+00
      5   0.793369D+00  0.186662D+00 -0.294325D+01  0.430075D+01 -0.264241D+01
      6   0.279032D+01  0.429896D+01  0.157463D+01 -0.910461D+01 -0.140454D+01
                36            37            38            39            40 
      1   0.458963D+01 -0.804000D+01  0.115536D+02 -0.594368D+00 -0.784565D+00
      2  -0.196265D+01  0.217844D+01 -0.109103D+02 -0.139555D+01 -0.411766D+01
      3  -0.262698D+01  0.586156D+01 -0.643274D+00  0.198992D+01  0.490222D+01
      4  -0.710728D+01  0.672317D+01 -0.127434D+02  0.198556D+00 -0.209277D+02
      5   0.199111D+01 -0.917418D+00 -0.385150D+00 -0.796326D+01 -0.246901D+01
      6  -0.131317D+02 -0.611235D+00 -0.258249D+00  0.135095D+01 -0.785102D+00
                41            42            43            44            45 
      1   0.781178D+01 -0.119319D+00  0.302186D+01 -0.295442D+01 -0.439236D+01
      2  -0.190043D+02  0.142036D+00 -0.286837D+01  0.198117D+01 -0.641673D+01
      3   0.111925D+02 -0.227170D-01 -0.153487D+00  0.973246D+00  0.108091D+02
      4  -0.291412D+02  0.501173D+00  0.344776D+00  0.239124D+01 -0.248568D+01
      5  -0.217944D+00 -0.311857D+01  0.287532D+01 -0.201075D+01  0.377193D+01
      6  -0.140201D+01 -0.123479D+02 -0.300320D+00  0.329136D+01  0.799658D+00
                46            47            48            49            50 
      1   0.121381D+02  0.688761D+01 -0.227271D+00  0.105557D+02 -0.235629D+02
      2  -0.188329D+01  0.215767D+01  0.520535D+00  0.245950D+01  0.438774D+02
      3  -0.102549D+02 -0.904528D+01 -0.293264D+00 -0.130152D+02 -0.203145D+02
      4   0.197595D+02  0.238882D+02 -0.349024D-01  0.256179D+02  0.563192D+02
      5   0.550801D+00  0.231494D+00  0.843892D+01  0.154870D+01  0.776889D+00
      6   0.494184D+00  0.463644D+00  0.360169D+01  0.109978D+01  0.134647D+01
                51            52            53            54            55 
      1  -0.418927D+00 -0.616507D+00  0.444151D-01 -0.402385D+01  0.558966D+02
      2   0.576503D-02  0.975986D+00 -0.639991D+00  0.326842D+01 -0.327431D+02
      3   0.413162D+00 -0.359479D+00  0.595576D+00  0.755425D+00 -0.231535D+02
      4   0.183190D+00 -0.293680D+00 -0.108400D+01  0.132166D+02 -0.209704D+02
      5   0.107785D+02  0.968788D+01  0.135160D+02 -0.804567D+00 -0.658465D+00
      6   0.165479D+02  0.422073D+01  0.143140D+02 -0.323218D+00  0.467814D+00
                56            57            58            59            60 
      1  -0.910712D+01  0.366841D-01  0.563992D+01  0.129560D+02 -0.587735D+00
      2   0.275023D+01  0.519207D+00 -0.669456D+01 -0.516670D+01  0.195862D+00
      3   0.635689D+01 -0.555891D+00  0.105464D+01 -0.778929D+01  0.391873D+00
      4   0.202044D+02  0.251365D+00  0.202921D+02 -0.300863D+01 -0.857170D+00
      5  -0.166097D+00  0.170836D+02 -0.158891D+00 -0.902302D+00 -0.401872D+01
      6  -0.202992D+00 -0.425321D+01 -0.786275D+00  0.758983D+00  0.697498D+01
                61            62            63            64            65 
      1  -0.148147D+01  0.817757D+00  0.684092D+01  0.345068D+00  0.600989D+00
      2   0.146371D+01  0.381578D-01 -0.872711D+01 -0.344460D+01 -0.257765D+00
      3   0.177589D-01 -0.855914D+00  0.188619D+01  0.309953D+01 -0.343224D+00
      4   0.627570D+00 -0.146194D+01 -0.585984D+01  0.319501D+00  0.272828D+00
      5   0.163908D+02 -0.657065D+01 -0.338914D+01 -0.685136D+00  0.461912D-02
      6  -0.201024D+01  0.495416D+01  0.537976D+00 -0.504178D+00  0.294633D+00
                66            67            68            69            70 
      1   0.669957D+00  0.131693D+00 -0.439589D+01 -0.263493D+00  0.215160D+01
      2   0.102117D+01  0.625168D+00  0.720864D+00 -0.877194D+00  0.760139D+00
      3  -0.169113D+01 -0.756861D+00  0.367502D+01  0.114069D+01 -0.291174D+01
      4  -0.193382D+00  0.203245D+01 -0.815308D+00  0.401239D+00  0.105276D+01
      5   0.411098D+01  0.210438D+00  0.102574D+00 -0.224691D+00  0.388981D+01
      6   0.287634D+00  0.193415D+00  0.442135D+00  0.607111D+01  0.210695D+00
                71            72            73            74            75 
      1   0.113382D+01 -0.170798D+02  0.289470D+01  0.149289D-01  0.366224D+01
      2  -0.113656D+01 -0.126461D+02 -0.453266D+01  0.985925D-01  0.495612D+00
      3   0.274403D-02  0.297259D+02  0.163796D+01 -0.113521D+00 -0.415785D+01
      4   0.936474D+00 -0.887197D+00  0.315730D+00  0.284188D+01 -0.172886D+01
      5  -0.809576D-01  0.247490D+01 -0.104986D+01 -0.121072D+01  0.717327D+01
      6   0.363960D+01 -0.249250D+01 -0.769394D+00 -0.100338D+01  0.949860D+00
                76            77            78            79            80 
      1   0.250329D+01 -0.531144D+01  0.862591D+00  0.109914D+02  0.480564D+01
      2  -0.994365D+00  0.269756D+01 -0.995133D+00 -0.172003D+01 -0.567019D+00
      3  -0.150892D+01  0.261388D+01  0.132541D+00 -0.927135D+01 -0.423862D+01
      4   0.681921D+00 -0.805001D+00  0.891676D+00 -0.966264D+00  0.659959D+00
      5  -0.101838D+01  0.724450D+00  0.166936D+00  0.151775D+01 -0.154838D+01
      6  -0.127841D+01 -0.197315D+01  0.539256D+01  0.170710D+01  0.578256D+01
                81            82            83            84            85 
      1  -0.261547D+02  0.233537D+01 -0.847198D+00 -0.932257D+00 -0.585352D+01
      2  -0.726022D+01  0.119626D+01  0.660799D+00  0.124156D+01  0.483822D+01
      3   0.334150D+02 -0.353163D+01  0.186399D+00 -0.309305D+00  0.101530D+01
      4  -0.116140D+01  0.324065D+00  0.475705D+01  0.336166D+00  0.280012D+01
      5   0.724837D+01 -0.766808D+00 -0.149806D+00  0.151607D+01 -0.965738D+00
      6  -0.105792D+02  0.945946D+00  0.974028D-01  0.180541D+00 -0.163402D+00
                86            87            88            89            90 
      1  -0.196485D+02 -0.153438D+01 -0.391602D+01 -0.370916D+01 -0.541651D+01
      2   0.288770D+02  0.310720D+01  0.299763D+01  0.455779D+01  0.279234D+01
      3  -0.922853D+01 -0.157281D+01  0.918390D+00 -0.848632D+00  0.262417D+01
      4  -0.107391D+02 -0.851098D+00 -0.223428D+00 -0.230936D+01 -0.136540D+01
      5  -0.119632D+01 -0.139523D+01  0.544114D+00 -0.150275D+01 -0.537749D+00
      6   0.471469D+00  0.446322D+01  0.827597D+00  0.560867D+01  0.138164D+01
                91            92            93            94            95 
      1  -0.135272D+02 -0.430022D+01 -0.114501D+00 -0.163437D+02 -0.648372D+01
      2   0.106121D+02  0.122133D+01  0.200915D+00  0.873647D+01  0.974836D+01
      3   0.291504D+01  0.307890D+01 -0.864132D-01  0.760727D+01 -0.326464D+01
      4  -0.254971D+01 -0.815199D+00 -0.281592D+00  0.685192D+01 -0.190875D+02
      5   0.381493D+00  0.306261D+00 -0.147255D+01  0.646657D+00  0.404503D+00
      6  -0.847795D-01 -0.234557D-01 -0.174699D+01  0.245332D+00 -0.131753D+00
                96            97            98            99           100 
      1   0.189494D+00  0.907361D+00  0.385868D+00 -0.621830D+00 -0.313720D+01
      2  -0.171490D+00 -0.558587D+00 -0.423335D+00  0.328122D-01  0.674413D+01
      3  -0.180039D-01 -0.348775D+00  0.374672D-01  0.589018D+00 -0.360693D+01
      4  -0.801790D-01 -0.672075D-01  0.501831D+00 -0.260248D+01  0.748812D+01
      5  -0.395709D+01  0.303853D+01 -0.237040D+01  0.143863D+00 -0.185735D+01
      6   0.153734D+01 -0.150081D+01  0.242971D+01 -0.251887D+00 -0.526689D+01
               101           102           103           104           105 
      1  -0.748528D+01  0.156847D+01 -0.477270D+01 -0.953511D+01  0.258449D+01
      2   0.120935D+02 -0.321906D+01  0.827056D+01  0.154948D+02 -0.446495D+01
      3  -0.460818D+01  0.165060D+01 -0.349786D+01 -0.595972D+01  0.188045D+01
      4   0.859209D+01 -0.328379D+01  0.863502D+01  0.750616D+01 -0.299078D+01
      5  -0.162229D+01  0.155862D+01 -0.342451D+00 -0.163780D+01  0.161430D+01
      6  -0.511005D+01  0.591139D+01 -0.421300D+01 -0.584802D+01  0.533455D+01
               106           107           108           109           110 
      1   0.249657D+01  0.555909D+01 -0.528166D+01 -0.183466D+01 -0.218596D+01
      2  -0.349396D+01 -0.665608D+01  0.332942D+01  0.133734D+01  0.246490D+01
      3   0.997384D+00  0.109699D+01  0.195224D+01  0.497325D+00 -0.278936D+00
      4  -0.489706D+01 -0.358868D+01  0.425317D+01  0.363043D-01  0.275218D+01
      5   0.185681D+01  0.204853D+01 -0.246069D+01  0.796136D+00  0.842394D+00
      6   0.538215D+01  0.771704D+01 -0.619732D+01  0.129446D+01  0.287008D+01
               111           112           113           114           115 
      1  -0.212919D+01 -0.362949D+00 -0.430240D+01 -0.287241D+01 -0.906384D+00
      2   0.119328D+01  0.601943D+00  0.448123D+01  0.304259D+01 -0.169837D+00
      3   0.935914D+00 -0.238994D+00 -0.178833D+00 -0.170182D+00  0.107622D+01
      4   0.155442D+01  0.331851D+01  0.156419D+01  0.128873D+01  0.335028D+01
      5   0.154888D+01  0.180399D+00  0.421086D+00  0.948990D+00  0.207058D+01
      6   0.367873D+01  0.205704D+01  0.385441D+01  0.689647D+01  0.430804D+01
               116           117           118           119           120 
      1  -0.729804D+01 -0.120105D+02  0.654103D+01  0.617031D+01  0.470575D+01
      2   0.535859D+01 -0.668653D+00 -0.176250D+01 -0.242159D+01 -0.240743D+01
      3   0.193945D+01  0.126791D+02 -0.477852D+01 -0.374872D+01 -0.229832D+01
      4   0.137441D+01  0.252307D+01  0.560848D+01  0.129927D+02  0.285819D+01
      5   0.308385D+00  0.119031D+00  0.474938D+01  0.249175D+01  0.433906D+01
      6   0.980856D+01  0.218021D+02  0.232084D+01  0.490302D+00  0.445595D+00
               121           122           123           124           125 
      1   0.859481D+01  0.504238D+00  0.963877D+00  0.454036D+01 -0.246281D+01
      2  -0.278147D+01  0.853586D+01  0.284594D+01 -0.160769D+01  0.103792D+01
      3  -0.581333D+01 -0.904010D+01 -0.380981D+01 -0.293267D+01  0.142488D+01
      4   0.139295D+02  0.374534D+02  0.165434D+02  0.316435D+01  0.189394D+02
      5   0.582269D+01  0.180321D+02  0.150612D+02  0.528658D+01  0.117518D+02
      6   0.314241D+01  0.850399D+01  0.502589D+01  0.131842D+01  0.800326D+01
               126 
      1  -0.298688D+01
      2  -0.326118D+00
      3   0.331300D+01
      4   0.106380D+02
      5   0.640409D+01
      6   0.596914D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.100808D+01      0.256227D+01      0.854682D+01
   y          0.149224D+01      0.379290D+01      0.126518D+02
   z          0.223182D+00      0.567271D+00      0.189221D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.836423D+02      0.123945D+02      0.137907D+02
   yx         0.123654D+01      0.183236D+00      0.203877D+00
   yy         0.702428D+02      0.104089D+02      0.115815D+02
   zx        -0.154046D+01     -0.228272D+00     -0.253987D+00
   zy         0.660537D+00      0.978815D-01      0.108908D+00
   zz         0.522932D+02      0.774905D+01      0.862198D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.771684D+02      0.114352D+02      0.127234D+02
   aniso      0.267705D+02      0.396697D+01      0.441385D+01
   xx         0.921594D+02      0.136566D+02      0.151950D+02
   yx         0.692271D+00      0.102584D+00      0.114140D+00
   yy         0.779797D+02      0.115554D+02      0.128571D+02
   zx        -0.697703D+00     -0.103389D+00     -0.115036D+00
   zy        -0.609889D+00     -0.903762D-01     -0.100557D+00
   zz         0.613663D+02      0.909354D+01      0.101179D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.25991871         -1.68119661         -0.01166511
    16          3.75386061         -1.93169466          2.34979842
     6         -0.16100742          0.82800686          0.04815165
     7         -1.63703988          1.32242587          2.33468755
     6         -1.87126218          1.07419985         -2.29932857
     8         -1.29194578          0.27619647         -4.34160282
     8         -4.02638801          2.32096490         -1.86530834
     1          1.21823998          2.35625068         -0.12727899
     1         -0.04610662         -3.26450866          0.18416272
     1          2.19409793         -1.88860472         -1.83176589
     1         -4.02541986          2.70193517         -0.04800774
     1         -0.55245697          2.04924791          3.72984930
     1         -2.46405836         -0.27464992          2.99801011
     1          2.25397271         -2.13290585          4.38779632

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.181461D+01      0.461228D+01      0.153849D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.725601D+02      0.107523D+02      0.119635D+02
   yx        -0.109462D+02     -0.162206D+01     -0.180479D+01
   yy         0.584587D+02      0.866268D+01      0.963854D+01
   zx         0.708573D+01      0.105000D+01      0.116828D+01
   zy        -0.986700D+00     -0.146214D+00     -0.162685D+00
   zz         0.751595D+02      0.111375D+02      0.123921D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.771684D+02      0.114352D+02      0.127234D+02
   aniso      0.267705D+02      0.396697D+01      0.441385D+01
   xx         0.801875D+02      0.118826D+02      0.132211D+02
   yx        -0.112694D+02     -0.166996D+01     -0.185808D+01
   yy         0.687995D+02      0.101950D+02      0.113435D+02
   zx         0.756624D+01      0.112120D+01      0.124750D+01
   zy        -0.866591D+00     -0.128416D+00     -0.142882D+00
   zz         0.825183D+02      0.122279D+02      0.136054D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-26\Freq\RM11\Gen\C3H7N1O2S1\PIERPA\12-Aug-2021\0\\#P 
 M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess
 =Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.841982,-0.630
 213,0.360459\S,2.547171,-0.192191,-0.109995\C,-0.225879,0.229919,-0.30
 9856\N,-0.226558,1.646777,0.057723\C,-1.62529,-0.371631,-0.067003\O,-1
 .831566,-1.553063,-0.022962\O,-2.593125,0.543639,0.052246\H,-0.077154,
 0.178374,-1.391781\H,0.739207,-0.597147,1.44615\H,0.710059,-1.667028,0
 .057631\H,-2.140525,1.41446,0.004453\H,0.443329,2.173429,-0.486604\H,-
 0.005119,1.777267,1.039014\H,2.614024,0.975209,0.551137\\Version=ES64L
 -G16RevA.03\State=1-A\HF=-722.1259544\RMSD=9.591e-09\RMSF=5.895e-06\Ze
 roPoint=0.1080431\Thermal=0.1160878\Dipole=1.0080754,1.4922424,0.22318
 16\DipoleDeriv=0.3939432,0.0515431,-0.0422578,0.105305,-0.0836999,-0.0
 477376,-0.0359109,0.0100085,0.0679317,-0.1849983,-0.0112111,-0.101048,
 -0.0328737,-0.0440013,0.118062,-0.1042676,0.1028433,-0.095072,-0.09583
 33,-0.0070297,0.0925836,-0.2138596,0.452563,0.052006,0.1824454,0.12668
 78,0.1708547,-0.6274043,0.1045772,-0.0460559,0.1343682,-0.6639874,-0.0
 057607,-0.0382752,-0.0392061,-0.1955668,1.3063792,-0.2349559,-0.120146
 6,0.0014723,1.6599711,0.0115481,-0.2203473,-0.0113717,0.2627251,-0.686
 4712,-0.2262782,0.0132889,-0.1030288,-1.152748,0.0030658,0.0317083,0.0
 312354,-0.3614787,-1.0333909,0.4856847,0.0311818,0.1882344,-0.9592803,
 -0.0437057,0.0956576,-0.0529338,-0.3271286,0.0567942,-0.0055601,0.0181
 053,-0.017822,0.0021439,0.004746,-0.0150464,-0.0174807,-0.0376752,-0.0
 88786,-0.0115836,0.0719078,0.0090567,0.0674391,-0.0190642,0.0475125,0.
 0089127,-0.0795192,0.0381731,-0.0128178,-0.0004863,0.0232695,-0.002424
 9,-0.0139113,0.0113449,-0.0202592,0.0737669,0.5440558,0.066344,0.01505
 25,0.072701,0.372066,0.007181,0.0045825,0.0036182,0.2630097,0.1214951,
 -0.1603803,0.0686445,-0.059834,0.2136225,-0.0555772,0.0377352,-0.05594
 22,0.1507805,0.2285537,-0.0894857,-0.0805794,-0.0548031,0.165896,0.056
 3821,-0.0459123,0.0026333,0.065708,0.0274897,0.0511534,0.0798096,-0.05
 2186,-0.0275599,-0.0672342,0.0487732,-0.0887456,0.0416639\Polar=83.642
 2559,1.2365375,70.242812,-1.5404569,0.6605372,52.2931836\Quadrupole=-7
 .1934884,2.8041687,4.3893197,-1.4392703,1.0562038,1.0545111\PG=C01 [X(
 C3H7N1O2S1)]\NImag=0\\0.34530405,-0.00369798,0.52334014,0.00848360,0.0
 5684735,0.53784735,-0.11221893,0.00078377,0.03879326,0.19016047,-0.022
 67152,-0.04466395,0.00047466,0.02821983,0.23998610,0.02595853,-0.01091
 206,-0.04981054,-0.04901211,0.11539207,0.11613965,-0.11141738,0.032403
 82,-0.03944024,-0.03553282,0.00914433,-0.00498031,0.44066531,0.0372005
 8,-0.10193456,0.02804611,-0.00733023,0.00216755,-0.00270358,-0.0094075
 2,0.47928934,-0.03663563,0.02139703,-0.10570441,0.00581496,-0.00354759
 ,0.00465242,-0.01559381,0.00654869,0.57175241,0.00006656,0.02542052,0.
 00755030,0.00161955,0.00277358,-0.00095385,-0.06669683,-0.02915474,0.0
 0006089,0.32605194,0.00200615,-0.03582567,-0.00907787,-0.00246045,0.00
 058682,0.00033552,0.01526150,-0.18751980,-0.02097076,0.18944127,0.4678
 0016,0.00342600,0.01099035,0.00591143,-0.00030776,-0.00007818,0.000016
 81,0.01385048,-0.03088418,-0.10578533,-0.07213899,-0.02067364,0.666949
 82,-0.03399238,0.00304891,0.00150607,0.00086060,0.00024891,-0.00086201
 ,-0.13463559,-0.02842451,0.00762097,-0.00886223,-0.00519491,-0.0006455
 7,0.52841881,0.00976930,0.01317274,-0.00619780,0.00655601,-0.00350004,
 0.00156896,-0.00298849,-0.07268833,0.00299328,-0.01768847,-0.02769006,
 0.00675220,0.06745626,1.02056098,-0.01400899,-0.00688487,0.00339285,-0
 .00254561,0.00124526,0.00033221,0.00654041,0.00742190,-0.09374989,-0.0
 0639490,-0.00542384,0.00265191,-0.04208160,-0.01971518,0.23193606,-0.0
 0036807,-0.00053587,0.00084342,0.00035947,-0.00044799,-0.00059995,0.00
 117626,-0.03141710,0.00244812,-0.00273374,-0.00576894,0.00268529,-0.13
 746835,-0.13218223,0.00927827,0.12416711,0.00346828,-0.00349638,0.0015
 4323,-0.00128419,0.00183399,-0.00040916,-0.01414861,-0.02753675,0.0033
 9775,-0.00907034,-0.00360453,0.00207427,-0.14261668,-0.71086810,0.0269
 6154,0.12489117,0.83820436,0.00101475,0.00067151,-0.00011236,0.0003457
 9,-0.00049496,0.00017739,0.00304313,0.00668008,0.01975840,0.00194439,0
 .00106448,0.00067099,0.00915065,0.02549686,-0.07730846,-0.01259654,-0.
 02783463,0.03408085,-0.00144866,-0.00489019,0.00417980,-0.00322528,0.0
 0086195,-0.00107451,-0.03571593,0.02590552,0.00549555,-0.00929837,-0.0
 0512363,0.00163575,-0.24260668,0.04728336,0.02341759,0.02801580,0.0301
 5406,-0.00170549,0.40776187,-0.00104836,0.00165178,-0.00008447,0.00029
 650,0.00068490,-0.00011519,0.00307891,-0.00523000,-0.00280563,-0.02050
 001,-0.00207495,0.00230857,0.10109396,-0.15671925,-0.01219114,0.049192
 26,-0.09831881,-0.00508141,0.04313931,0.58326343,0.00139063,0.00285494
 ,-0.00123437,0.00081580,-0.00029124,0.00001971,0.01057215,-0.00653704,
 0.02069996,-0.00069674,0.00017506,0.00485597,0.02274496,-0.00526980,-0
 .05811285,-0.00186995,-0.00279832,0.01466326,-0.04433884,-0.00229210,0
 .04026990,0.00080777,0.00135710,-0.02573792,0.00189960,-0.00023752,-0.
 00050648,-0.05135196,0.00136471,0.04545802,0.00090816,-0.00126749,-0.0
 0244603,-0.00464489,-0.00035426,0.03338361,-0.00106698,-0.00053916,-0.
 00421033,-0.00323584,0.00042472,-0.00416881,0.05788070,-0.00064105,-0.
 00017306,0.01988542,-0.00080561,0.00010420,-0.00056446,-0.00153291,-0.
 04606441,-0.00171185,0.00426103,-0.01023205,-0.03826560,-0.00046548,0.
 00039327,0.01256105,-0.00114904,-0.00075733,-0.00181953,-0.00074559,0.
 00074563,-0.00082609,-0.00206497,0.06172068,0.00029101,0.00232432,-0.0
 1701625,0.00075573,-0.00058222,0.00152404,0.03546903,-0.01246856,-0.29
 703998,0.00089827,-0.00369433,-0.00884425,0.00380168,0.00120703,-0.006
 30720,0.00016732,-0.00030783,0.00124032,0.00032025,0.00061341,0.000291
 01,-0.03982931,0.01235325,0.32364511,-0.04149037,0.00363291,0.02658837
 ,-0.01571299,-0.00193549,0.02523469,0.00077691,-0.00077858,-0.02446774
 ,0.00043506,-0.00152487,0.00056875,0.00235770,0.00115946,-0.00107340,-
 0.00033542,-0.00074843,0.00055099,-0.00038371,0.00006225,0.00025344,-0
 .00300615,0.00292385,-0.00184456,0.05430324,0.00516060,-0.04812397,-0.
 01052838,-0.00684156,-0.00039415,0.00722068,0.00090640,-0.00040421,0.0
 1996543,-0.00113032,0.00237618,0.00057219,-0.00106609,0.00032283,-0.00
 021610,-0.00010664,0.00002009,0.00053328,0.00008926,-0.00041520,-0.000
 21589,0.00279972,-0.00143927,0.00191363,-0.00409438,0.04775031,0.01965
 403,-0.01230359,-0.30982727,0.00345438,0.00025659,-0.00158506,-0.00073
 482,-0.00209357,-0.01521543,0.00048440,-0.00013920,0.00213493,0.001122
 84,0.00158018,-0.00047719,-0.00033984,-0.00088134,0.00061836,-0.000567
 67,0.00006784,0.00014001,-0.00221914,0.00136018,0.00020826,-0.02125814
 ,0.01108389,0.33179247,-0.04451213,-0.03274348,-0.01158524,-0.00693980
 ,-0.02393287,-0.00781167,0.00465228,0.01975127,0.00802349,-0.00396960,
 0.00475566,-0.00221645,0.00001011,0.00378611,0.00044876,-0.00124738,-0
 .00228552,-0.00015074,0.00053116,-0.00172001,-0.00012394,0.00078176,-0
 .00030910,-0.00011633,0.00085805,0.00359476,0.00072910,0.05573168,-0.0
 2643865,-0.29498178,-0.07563351,-0.00359435,-0.00440976,-0.00042984,-0
 .00117072,-0.01730764,-0.00613422,0.00296340,-0.00230613,0.00200458,-0
 .00022127,-0.00267227,-0.00005873,-0.00230330,0.00165409,-0.00011010,-
 0.00009246,0.00103511,-0.00000181,-0.00031215,0.00058116,0.00024564,0.
 00040006,0.00030311,-0.00021885,0.03120505,0.31722416,-0.00980656,-0.0
 7455982,-0.06991040,0.00145371,0.00681175,0.00208951,0.00223620,0.0146
 2218,0.00388141,-0.00293225,0.00262339,-0.00010816,-0.00016654,-0.0006
 4764,0.00063482,-0.00033965,0.00016572,-0.00080947,0.00010504,0.000022
 51,0.00006015,0.00079979,-0.00006624,0.00049737,-0.00391608,-0.0303492
 3,-0.00851468,0.01074957,0.07948881,0.07231032,-0.00002513,-0.00176673
 ,-0.00033119,-0.00022203,-0.00032278,0.00032092,-0.00764466,0.01103658
 ,0.00249085,0.00576141,0.00265537,-0.00246823,0.03004332,0.02054184,-0
 .00468720,-0.00908468,0.01255920,0.00204527,-0.13677367,-0.17244750,0.
 01387063,-0.00022160,-0.00057479,-0.00031190,0.00010478,0.00023301,-0.
 00004304,0.00074166,-0.00059358,0.00013111,0.11528592,-0.00005787,-0.0
 0254912,-0.00014570,-0.00104309,0.00007343,0.00000832,0.00126520,0.004
 37682,0.00138436,0.00443698,-0.00359168,-0.00036895,0.00009911,-0.0544
 4665,-0.00016765,0.00267866,0.00454833,-0.00032472,-0.13765062,-0.3281
 8480,0.01460086,-0.00033990,-0.00046399,-0.00015062,-0.00010368,0.0002
 2052,-0.00012461,0.00039506,-0.00049724,0.00017737,0.13131912,0.381432
 21,-0.00020494,-0.00051571,0.00002582,-0.00009689,0.00005252,-0.000029
 96,0.00117090,-0.00030369,-0.00062789,0.00009431,0.00052144,-0.0079080
 5,-0.00274975,-0.00391551,-0.00289685,0.00146016,-0.00095360,0.0068806
 1,0.01368389,0.01996664,-0.02160633,0.00095871,-0.00011779,-0.00035702
 ,-0.00012294,0.00007215,-0.00013387,0.00003177,-0.00000211,0.00005335,
 -0.01154687,-0.01454794,0.02664891,0.00106450,0.00182427,0.00011393,0.
 00011006,-0.00028293,0.00039285,-0.00307069,0.00675080,-0.00352873,-0.
 19905705,-0.16127055,0.16333777,-0.00108652,0.00056839,-0.00061094,-0.
 00038826,-0.00180400,0.00025564,-0.00176967,-0.00236677,-0.00091776,0.
 00076232,-0.00014100,-0.00023631,-0.00008230,-0.00012993,0.00005585,-0
 .00057969,0.00038484,0.00018688,0.00255070,-0.00066653,0.00198373,0.19
 862028,-0.00140357,-0.00107719,0.00018292,0.00009231,0.00084307,-0.000
 50804,-0.02564483,-0.02068228,0.01861624,-0.12885664,-0.14019428,0.091
 32737,0.00498165,-0.00518180,-0.00202213,-0.00224315,-0.00120550,0.000
 52181,0.00116444,0.00298365,0.00086310,0.00019379,0.00208207,-0.000037
 82,-0.00000685,-0.00005467,-0.00007587,0.00018909,-0.00016196,-0.00017
 742,-0.00243171,-0.00101014,-0.00118623,0.14937037,0.16045996,-0.00007
 595,-0.00003872,-0.00087321,0.00015466,0.00000605,0.00004933,-0.008712
 97,-0.00601290,0.00639922,0.13313666,0.09638961,-0.16582840,0.00033266
 ,-0.00281644,0.00012803,-0.00140565,-0.00143590,0.00013382,-0.00141899
 ,-0.00126170,0.00007679,-0.00069459,-0.00103927,0.00082017,0.00002199,
 0.00002913,0.00013119,0.00003112,-0.00008852,0.00020516,0.00180156,0.0
 0035450,0.00011604,-0.15068543,-0.10505565,0.17940095,0.00064707,-0.00
 083890,0.00132361,-0.00039267,0.00009714,0.00018465,-0.00267829,0.0059
 3615,0.00340513,-0.04516458,-0.03186634,-0.10538364,0.00171112,-0.0025
 7493,-0.00208638,-0.00071436,0.00050059,0.00046773,-0.00191485,0.00025
 361,0.00252505,0.00059321,0.00117663,0.00060233,0.00037759,-0.00008584
 ,-0.00013265,0.00017694,-0.00027473,-0.00011981,-0.00017104,-0.0001841
 8,-0.00468634,0.00359209,0.00397728,0.02780181,0.04457391,0.00001615,0
 .00265902,-0.00161206,0.00042604,0.00004359,0.00005658,-0.00763310,-0.
 00640827,-0.03950391,-0.02335137,-0.05813149,-0.02588817,0.00085700,-0
 .00027557,-0.00127168,-0.00030934,-0.00058523,0.00066840,-0.00001271,0
 .00035558,-0.00033304,-0.00092145,-0.00649995,-0.00144236,0.00014309,-
 0.00049512,0.00138186,-0.00053813,0.00041737,0.00041957,-0.00019668,0.
 00009326,0.00093194,0.00739440,0.00316726,0.02098362,0.02382767,0.0656
 3842,-0.00051727,0.00175450,0.00306351,0.00036009,0.00035044,-0.000247
 16,-0.00341557,-0.00113006,-0.00847759,-0.06215497,-0.04110654,-0.3950
 1128,0.00038084,-0.00073793,-0.00046760,0.00000304,0.00022208,0.000021
 40,0.00002223,0.00061673,-0.00002826,-0.00089804,-0.00166322,0.0014107
 0,0.00079496,-0.00081490,-0.00008093,-0.00047830,0.00050055,-0.0000412
 0,-0.00093491,-0.00056303,-0.00017879,-0.00971242,-0.00299104,-0.02034
 282,0.07615493,0.04564625,0.42019638,-0.00241689,-0.02399814,-0.012287
 78,-0.02076524,0.00848535,0.01370925,0.00147341,-0.00143293,-0.0005920
 8,0.00093973,0.00035722,0.00010261,-0.00010502,-0.00133232,0.00042038,
 -0.00031140,0.00092362,-0.00015522,0.00006382,0.00054114,-0.00005661,-
 0.00010610,0.00006803,0.00003280,0.00179761,0.00067102,-0.00020529,-0.
 00623503,0.00004788,0.00161857,-0.00034498,-0.00014827,0.00002425,-0.0
 0066577,0.00061784,-0.00028688,-0.00063612,0.00029842,0.00039538,0.027
 31198,-0.00166206,-0.00799800,-0.00369989,-0.01301498,-0.19335574,-0.1
 0893980,0.00046604,-0.00005747,0.00037119,0.00045511,0.00040750,0.0001
 2918,0.00020313,-0.00040774,-0.00023842,-0.00029849,0.00011177,0.00002
 892,-0.00008269,0.00022292,0.00007139,-0.00010311,0.00000305,0.0000264
 6,0.00087065,0.00033356,0.00010650,-0.00214788,0.00112179,0.00146904,-
 0.00001136,-0.00000095,-0.00000211,0.00036865,0.00003181,-0.00001382,0
 .00005586,0.00002113,-0.00008382,0.01490115,0.19956636,0.00103080,0.00
 837477,0.00424784,0.00001400,-0.11959514,-0.07332837,-0.00000459,-0.00
 118538,-0.00054332,0.00110246,-0.00002332,0.00029361,-0.00015520,-0.00
 029822,0.00024415,0.00026596,0.00025620,-0.00001512,0.00024539,0.00023
 595,-0.00009494,0.00011053,-0.00008586,-0.00007229,-0.00133034,0.00073
 412,0.00080921,0.00246886,0.00043810,-0.00034818,-0.00033701,-0.000132
 18,0.00001402,-0.00063508,0.00054276,-0.00041626,-0.00005642,-0.000036
 99,0.00018365,-0.00271938,0.11077519,0.06902600\\0.00002212,0.00000009
 ,-0.00000536,-0.00000656,0.00000141,0.00000561,0.00000152,-0.00000839,
 -0.00000142,0.00000751,0.00000386,0.00000295,-0.00001117,-0.00001733,-
 0.00000244,0.00000584,0.00000766,0.00000082,0.00000091,0.00000066,-0.0
 0000078,-0.00000248,0.00000362,0.00000015,-0.00000370,0.00000141,0.000
 00139,-0.00000630,0.00000337,0.00000097,-0.00000369,0.00000596,0.00000
 129,-0.00000424,-0.00000106,-0.00000032,-0.00000259,-0.00000220,-0.000
 00176,0.00000284,0.00000096,-0.00000110\\\@


 SUPPORT THE RIGHT TO ARM BEARS!
 (ADD A CLAWS TO THE BILL OF RIGHTS)
 Job cpu time:       0 days  3 hours 22 minutes 12.1 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 18.5 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:23:31 2021.
